SCHEMBL24286572

SCHEMBL24286572

Cc1c(N)nc2ccc(-c3ccnc4ccccc34)cn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GRM4 Q14833 8/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ NCF1 P14598 1/20 0.39

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
SCHEMBL24286665 0.78 AURKB (0.49) ACVR1GRM4AURKAAURKBINCENP
SCHEMBL24286655 0.76 MAPT (0.47) NPC1RAB9AKDM4EALDH1A1MAPK1
SCHEMBL29536860 0.74 ABL1 (0.38) ACVR1GRM4HTR2BMTNR1AKCNH2
SCHEMBL24286573 0.74 ABL1 (0.38) ACVR1GRM4HTR2BMTNR1AKCNH2
SCHEMBL24285889 0.73 CA12 (0.45) NPC1RAB9AALDH1A1CYP1A2MAPT
SCHEMBL24286250 0.70 ABL1 (0.42) TGFBR1
SCHEMBL5314423 0.70 NPC1 (0.55) ACVR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL29492647 0.70 NPC1 (0.55) ACVR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3974248 0.70 NCF1 (0.55) ACVR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL24286669 0.69 LRRK2 (0.43) RAB9AKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220087985-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS 1ST Biotherapeutics, Inc. (KR) 2022-03-24 — — 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 (1 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-20220087985-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS NLRP3, NLRP1, KCNJ2 ACVR1 4380/4885NPC1 1816/4885RAB9A 651/4885

“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.

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