SCHEMBL602528

SCHEMBL602528

Nc1nnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPC1 O15118 3/20 0.54
TSHR P16473 3/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL5235484 0.81 ESR1 (0.46) HPGDRAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL5915148 0.81 RAB9A (0.59) HPGDRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL13237374 0.78 NPC1 (0.54) HPGDRAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL19224717 0.75 NPC1 (0.51) HPGDRAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL31379292 0.74 FFAR1 (0.39) RAB9AL3MBTL1NPC1POLBNPSR1
SCHEMBL31379407 0.71 KDM1A (0.38) HPGDRAB9ASMN1; SMN2TP53L3MBTL1
Hydrazinecarboxamide SCHEMBL22471911 0.68 RAB9A (0.45) HPGDRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL17994177 0.68 NOTUM (0.48) HPGDRAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL16561361 0.67 IDO1 (0.58) TSHRMAOBLOXL2
SCHEMBL1468357 0.67 IDO1 (0.58) TSHRMAOBLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed
EP-1644377-A4 TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF SUGEN INC (US) 2007-09-05 EP disclosed
US-7122548-B2 Triazolotriazine compounds and uses thereof SUGEN, INC. (US) 2006-10-17 US disclosed
US-7037909-B2 Tetracyclic compounds as c-Met inhibitors SUGEN, INC. (US) 2006-05-02 US disclosed
EP-1644377-A1 TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF Sugen, Inc. (US) 2006-04-12 EP disclosed
US-20050075340-A1 Triazolotriazine compounds and uses thereof SUGEN, INC. 2005-04-07 US disclosed
WO-2005010005-A1 TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF SUGEN, INC. (US) 2005-02-03 WO disclosed
WO-2005004808-A2 TETRACYCLIC COMPOUNDS AS c-MET INHIBITORS SUGEN, INC. (US) 2005-01-20 WO disclosed
US-20050014755-A1 Tetracyclic compounds as c-Met inhibitors SUGEN INC. 2005-01-20 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 (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-20050014755-A1 Tetracyclic compounds as c-Met inhibitors MET, RET, HGF HPGD 4576/4885RAB9A 921/4885SMN1; SMN2 3903/4885
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 HPGD 28/4885RAB9A 3120/4885SMN1; SMN2 2115/4885
US-20050075340-A1 Triazolotriazine compounds and uses thereof MET, TPMT, RET HPGD 3276/4885RAB9A 3884/4885SMN1; SMN2 4334/4885

“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.