SCHEMBL5025302

SCHEMBL5025302

Nc1nnc(Nc2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
TAAR1 Q96RJ0 1/20 0.53
GAA P10253 5/20 0.50
MAPT P10636 5/20 0.50
GFER P55789 3/20 0.50
ALDH1A1 P00352 3/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP2D6 P10635 2/20 0.42
POLB P06746 1/20 0.42
PIM1 P11309 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR2B P41595 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14869343 0.81 MEN1 (0.49) MEN1KMT2AGAAMAPTGFER
SCHEMBL14869391 0.79 NPSR1 (0.49) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14869336 0.79 GAA (0.54) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL14868916 0.78 MEN1 (0.55) MEN1KMT2ATAAR1GAAMAPT
SCHEMBL19087059 0.76 MEN1 (0.53) MEN1KMT2ATAAR1GAAMAPT
SCHEMBL4336217 0.76 MEN1 (0.53) MEN1KMT2ATAAR1GAAMAPT
SCHEMBL14872368 0.76 LMNA (0.33) MEN1KMT2ATAAR1GAAMAPT
SCHEMBL12015936 0.74 MEN1 (0.51) MEN1KMT2ATAAR1GAAMAPT
Hydrochloric Acid SCHEMBL17186546 0.74 RAPGEF4 (0.46) L3MBTL1HTTPOLBTSHRPTGS1
SCHEMBL14868968 0.74 PNP (0.35) MEN1KMT2ATAAR1GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2020-05-07 US disclosed
CN-109922802-A triazole benzamide derivatives and related compositions and methods of treatment AN2H探索有限公司 2019-06-21 CN disclosed
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2019-03-14 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 MEN1 679/4885KMT2A 2239/4885TAAR1 2974/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 MEN1 679/4885KMT2A 2239/4885TAAR1 2974/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 MEN1 679/4885KMT2A 2239/4885TAAR1 2974/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 MEN1 679/4885KMT2A 2239/4885TAAR1 2974/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 MEN1 679/4885KMT2A 2239/4885TAAR1 2974/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 MEN1 679/4885KMT2A 2239/4885TAAR1 2974/4885
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC MEN1 1888/4885KMT2A 909/4885TAAR1 3752/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 MEN1 4871/4885KMT2A 1179/4885TAAR1 3677/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB MEN1 2422/4885KMT2A 790/4885TAAR1 3919/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG MEN1 493/4885KMT2A 2001/4885TAAR1 3026/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.