SCHEMBL6037590

SCHEMBL6037590

Cc1ccc(NC(=O)c2ccccn2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.78
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
PKM P14618 3/20 0.69
MAPT P10636 1/20 0.69
KDM4E B2RXH2 3/20 0.66
MITF O75030 1/20 0.66
GRM4 Q14833 4/20 0.65
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GFER P55789 1/20 0.62
PTGS2 P35354 1/20 0.61

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
SCHEMBL12197854 0.86 GRM4 (0.83) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL16592903 0.86 NPC1 (0.69) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL231897 0.85 KDR (0.78) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL28871768 0.85 KDR (0.60) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL28036432 0.85 GAA (0.66) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL28947571 0.84 NPC1 (0.67) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL29184186 0.84 KDR (0.76) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL6037587 0.83 NPC1 (0.65) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL7988912 0.83 NPC1 (0.65) KDRNPC1RAB9ASMN1; SMN2PKM
SCHEMBL20990144 0.83 NPC1 (0.67) KDRNPC1RAB9ASMN1; SMN2PKM

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
CN-118005608-A Triazole small molecular organic compound for inhibiting mitochondrial oxidative phosphorylation by specific targeting complex I and application thereof 华东师范大学 2024-05-10 CN claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-119998260-A Process for preparing amides from esters 巴斯夫欧洲公司 2025-05-13 CN disclosed
CN-118439994-A Preparation method of 2-pyridine carboxamide compound 江阴迈康升华医药科技有限公司 2024-08-06 CN disclosed
US-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2019-02-05 US disclosed
EP-2900238-B1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS UNIV VANDERBILT (US) 2017-12-06 EP disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (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-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors BMP1, BMP4, BMP2 KDR 233/4885NPC1 3037/4885RAB9A 1421/4885
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 KDR 233/4885NPC1 3037/4885RAB9A 1421/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KDR 2349/4885NPC1 2649/4885RAB9A 1779/4885

“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.