SCHEMBL12410495

SCHEMBL12410495

O=c1cc[nH]c2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.56
KMT2A Q03164 1/20 0.54
TYMP P19971 1/20 0.48
GSK3B P49841 1/20 0.48
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 2/20 0.45
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FKBP5 Q13451 1/20 0.36
PARP1 P09874 4/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL30774416 0.72 CCR8 (1.00) CCR8KMT2ATYMPGSK3BBACE1
SCHEMBL19318056 0.72 CCR8 (1.00) CCR8KMT2ATYMPGSK3BBACE1
SCHEMBL5253485 0.72 CCR8 (0.45) CCR8KMT2ATYMPGSK3BBACE1
SCHEMBL15707647 0.69 GSK3B (0.41) CCR8TYMPGSK3BBACE1ALDH1A1
SCHEMBL12338438 0.69 ALDH1A1 (0.63) CCR8KMT2AALDH1A1ADORA2AADORA1
SCHEMBL10031 0.67 ALDH1A1 (0.55) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL12410494 0.67 TYMP (0.38) TYMPGSK3BBACE1AHR
7-Deazaxanthine SCHEMBL1460298 0.65 TYMP (1.00) CCR8KMT2ATYMPGSK3BBACE1
SCHEMBL6366012 0.65 ALDH1A1 (0.53) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL11699295 0.65 CCR8 (0.60) CCR8KMT2AALDH1A1ADORA2AADORA1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427578-B1 Substituted pyrrolopyridine-derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-08-30 US disclosed
EP-3638670-B1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES Bayer Pharma AG (DE) 2021-07-21 EP disclosed
EP-3655406-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-05-27 EP disclosed
EP-3638669-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
EP-3638670-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-24 WO disclosed
WO-2018228923-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed
WO-2018228920-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 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 (3 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 CCR8 759/4885KMT2A 1207/4885TYMP 3287/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 CCR8 599/4885KMT2A 1316/4885TYMP 3484/4885
US-11427578-B1 Substituted pyrrolopyridine-derivatives MAP3K4, MAP4K4, MAP4K3 CCR8 3205/4885KMT2A 2445/4885TYMP 1318/4885

“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.