SCHEMBL6803347

SCHEMBL6803347

Cc1ccc(N)cc1-c1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
PLA2G7 Q13093 1/20 0.44
CASP1 P29466 4/20 0.43
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
PDE10A Q9Y233 1/20 0.41
EGFR P00533 2/20 0.39
ABL1 P00519 3/20 0.39
GRM5 P41594 1/20 0.38
RAF1 P04049 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
AR P10275 1/20 0.36
RECQL P46063 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL8118941 0.85 ALDH1A1 (0.45) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL26923043 0.81 ALDH1A1 (0.45) ALDH1A1PLA2G7CASP1TSHRCYP3A4
SCHEMBL30714540 0.80 AXL (0.56) ALDH1A1PLA2G7CYP3A4ABL1MAPT
SCHEMBL1439800 0.80 AXL (0.56) ALDH1A1PLA2G7CYP3A4ABL1MAPT
SCHEMBL7088870 0.80 EGFR (0.41) ALDH1A1CASP1TSHRCYP3A4EGFR
SCHEMBL25593208 0.79 PLA2G7 (0.47) ALDH1A1PLA2G7CASP1TSHRCYP3A4
SCHEMBL30714465 0.79 ABL1 (0.41) ALDH1A1PLA2G7CASP1TSHRCYP3A4
SCHEMBL26923550 0.79 ABL1 (0.41) ALDH1A1PLA2G7CASP1TSHRCYP3A4
SCHEMBL3783964 0.77 ALDH1A1 (0.54) ALDH1A1PLA2G7CASP1TSHRCYP3A4
SCHEMBL10305281 0.77 ABL1 (0.49) ABL1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1626532-A Amide compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 ALDH1A1 2908/4885PLA2G7 320/4885CASP1 514/4885
US-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 ALDH1A1 2482/4885PLA2G7 3972/4885CASP1 2930/4885
US-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A ALDH1A1 386/4885PLA2G7 1840/4885CASP1 2742/4885

“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.