SCHEMBL897882

SCHEMBL897882

N#Cc1cc(NN)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.43
TRPV4 Q9HBA0 2/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
PGR P06401 1/20 0.38
IDO1 P14902 1/20 0.36
AR P10275 2/20 0.36
KHK P50053 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
CNR2 P34972 1/20 0.34
ACLY P53396 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33

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
Hydrochloric Acid SCHEMBL1765566 0.98 GRM4 (0.46) GRM4ABCG2TRPV4BLMWRN
SCHEMBL7230699 0.98 GRM4 (0.46) GRM4ABCG2TRPV4BLMWRN
Hydrochloric Acid SCHEMBL3829463 0.96 GRM4 (0.48) GRM4ABCG2TRPV4BLMWRN
Hydrochloric Acid SCHEMBL3829461 0.96 GRM4 (0.44) GRM4ABCG2TRPV4BLMWRN
Hydrochloric Acid SCHEMBL7475755 0.96 GRM4 (0.48) GRM4ABCG2TRPV4BLMWRN
SCHEMBL3829465 0.93 GRM4 (0.46) GRM4ABCG2TRPV4BLMWRN
SCHEMBL3623834 0.84 TRPV4 (0.52) TRPV4PGRIDO1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL5057770 0.82 TRPV4 (0.50) TRPV4PGRIDO1KCNQ3KCNQ2
SCHEMBL28296270 0.82 TRPV4 (0.50) TRPV4PGRIDO1KCNQ3KCNQ2
SCHEMBL3173181 0.82 GRM4 (0.48) GRM4ABCG2TRPV4BLMWRN

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
CN-109251158-A Sulphur amidine amides compound and its purposes for treating hepatitis B 上海长森药业有限公司 2019-01-22 CN disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors FEVIG JOHN M (US) 2003-04-10 US disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 US disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed
EP-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP 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 (5 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 GRM4 1830/4885ABCG2 3103/4885TRPV4 2949/4885
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors F12, F11, F10 GRM4 4804/4885ABCG2 581/4885TRPV4 4541/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 GRM4 1830/4885ABCG2 3103/4885TRPV4 2949/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 GRM4 1201/4885ABCG2 1322/4885TRPV4 2808/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 GRM4 1378/4885ABCG2 1025/4885TRPV4 2958/4885

“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.