SCHEMBL971445

SCHEMBL971445

CCOC(=O)c1cccc(NN)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.63
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 1/20 0.60
PKM P14618 1/20 0.60
CDC25B P30305 4/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59

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 SCHEMBL971443 0.98 KMT2A (0.62) KMT2AALDH1A1TSHRRAB9ANPC1
Hydrochloric Acid SCHEMBL28210772 0.87 CDC25B (0.50) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL584215 0.85 KMT2A (0.65) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL8123409 0.84 KMT2A (0.68) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL3092388 0.84 KMT2A (0.63) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL2138281 0.83 ALDH1A1 (0.66) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL22840787 0.83 CA1 (0.56) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL5552521 0.83 SMN1; SMN2 (0.71) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL7808621 0.83 SMN1; SMN2 (0.70) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL7107744 0.83 CDC25B (0.69) KMT2AALDH1A1TSHRRAB9ANPC1

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
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
CN-104903310-B Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain 阵列生物制药公司 2018-08-14 CN disclosed
CN-104968654-B Substituted 2-aminopyridine albuminoid kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP Co.,Ltd. (CN) 2018-06-01 CN disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
EP-2712358-B1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2016-12-21 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP 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 (2 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 KMT2A 2175/4885ALDH1A1 1707/4885TSHR 4000/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK KMT2A 1386/4885ALDH1A1 1036/4885TSHR 3697/4885

“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.