SCHEMBL6798787

SCHEMBL6798787

Nc1cccc(-c2csc(-c3cccnc3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.72
AXL P30530 2/20 0.72
MKNK1 Q9BUB5 2/20 0.72
MKNK2 Q9HBH9 2/20 0.72
PBRM1 Q86U86 1/20 0.72
RAB9A P51151 7/20 0.68
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 1/20 0.68
NPC1 O15118 6/20 0.65
MAPT P10636 4/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.59
PSIP1 O75475 1/20 0.59
HPGDS O60760 1/20 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
SCHEMBL14320817 0.85 RAB9A (0.77) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL6196239 0.85 CYP19A1 (1.00) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL8052755 0.83 HSD17B1 (0.75) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL7495850 0.82 RAB9A (1.00) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL6649362 0.82 CYP19A1 (0.87) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL207818 0.81 CYP19A1 (0.64) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL27922656 0.81 CYP19A1 (0.64) CYP19A1AXLMKNK1MKNK2PBRM1
Hydrochloric Acid SCHEMBL11452940 0.80 RAB9A (0.97) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL6796930 0.80 CYP19A1 (0.55) CYP19A1AXLMKNK1MKNK2PBRM1
SCHEMBL11460926 0.79 RAB9A (0.94) CYP19A1AXLMKNK1MKNK2PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151147-C Indole derivatives as 5 -HT receptor antagonist ʷ��˿�������ȳ�ķ���޹�˾ 2004-05-26 CN disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
US-6638953-B2 Central nervous system disorders; anxiety SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-28 US disclosed
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A CYP19A1 2384/4885AXL 753/4885MKNK1 676/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 CYP19A1 488/4885AXL 2681/4885MKNK1 4575/4885

“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.