SCHEMBL174384

SCHEMBL174384

COc1ccc(Cn2nccc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
NPBWR1 P48145 7/20 0.51
CMA1 P23946 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MCHR1 Q99705 1/20 0.47
ALOX15 P16050 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PDE8B O95263 1/20 0.43

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
Hydrochloric Acid SCHEMBL29442137 0.98 KDM4E (0.60) KDM4EALDH1A1PKMNPBWR1CMA1
Hydrochloric Acid SCHEMBL540053 0.98 KDM4E (0.60) KDM4EALDH1A1PKMNPBWR1CMA1
SCHEMBL6760429 0.86 KDM4E (0.81) KDM4EALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL1491088 0.84 KDM4E (0.58) KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL27884414 0.83 NPBWR1 (0.54) KDM4EALDH1A1NPBWR1CMA1MCHR1
SCHEMBL1491061 0.83 KDM4E (0.57) KDM4EALDH1A1PKMCYP1A2CYP3A4
SCHEMBL1491065 0.81 KDM4E (0.55) KDM4EALDH1A1PKMCYP1A2CYP3A4
SCHEMBL1491134 0.81 KDM4E (0.55) KDM4EALDH1A1PKMCYP1A2CYP3A4
SCHEMBL1491056 0.81 MEN1 (0.57) KDM4EALDH1A1PKMCMA1MAPT
SCHEMBL18399187 0.81 KDM4E (0.56) KDM4EALDH1A1NPBWR1CMA1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
US-20250270213-A1 PI3Ka INHIBITORS PIKAVATION THERAPEUTICS, INC. 2025-08-28 US disclosed
CN-119654321-A PI3K alpha inhibitors 突触活化疗法股份有限公司 2025-03-18 CN disclosed
EP-4511373-A1 PI3K? INHIBITORS Synnovation Therapeutics, Inc. (US) 2025-02-26 EP disclosed
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2024-11-14 US disclosed
US-12037336-B2 Compounds with activity as inhibitors of the epithelial sodium channel (ENaC) Enterprise Therapeutics Limited (GB) 2024-07-16 US disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed
CN-113698395-B Transforming growth factor receptor antagonist, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-12-08 CN disclosed
WO-2023205680-A1 PI3Kα INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
WO-2007134259-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-11-22 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 US disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
EP-1043998-B1 USE OF PYRAZOLO [3,4-b] PYRIDINE AS CYCLIN DEPENDANT KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-03-07 EP disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP disclosed
US-6107305-A Use of pyrazolo [3,4-b] pyridine as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-22 US 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 (7 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-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 KDM4E 2449/4885ALDH1A1 1600/4885PKM 621/4885
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 KDM4E 1751/4885ALDH1A1 4528/4885PKM 2180/4885
US-12037336-B2 Compounds with activity as inhibitors of the epithelial sodium channel (ENaC) SCNN1B, SCNN1A, SCNN1G KDM4E 4538/4885ALDH1A1 1465/4885PKM 4113/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KDM4E 4855/4885ALDH1A1 1929/4885PKM 421/4885
US-20250270213-A1 PI3Ka INHIBITORS PIK3CA, PIK3C2A, PIK3R5 KDM4E 2515/4885ALDH1A1 3839/4885PKM 2588/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 KDM4E 80/4885ALDH1A1 1510/4885PKM 145/4885
US-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 KDM4E 1179/4885ALDH1A1 143/4885PKM 1047/4885

“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.