SCHEMBL745458

SCHEMBL745458

CNC(=O)Nc1cc[c]cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
CDK9 P50750 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MDM2 Q00987 1/20 0.40
PIP4K2A P48426 1/20 0.40

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
SCHEMBL10155599 0.84 ALDH1A1 (0.78) ALDH1A1KMT2ASMN1; SMN2RECQLPOLB
SCHEMBL4490164 0.79 KMT2A (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL751586 0.78 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2MAPTTP53EPHX1
SCHEMBL779875 0.78 RAB9A (0.50) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL1448293 0.78 CA12 (0.56) ALDH1A1KMT2ASMN1; SMN2POLBEPHX2
SCHEMBL751975 0.78 MTNR1B (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTEPHX1
SCHEMBL20852214 0.77 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2RECQLPOLB
SCHEMBL714237 0.77 SMN1; SMN2 (0.73) ALDH1A1KMT2ASMN1; SMN2RECQLMAPT
SCHEMBL19602 0.77 SMN1; SMN2 (0.60) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL746119 0.76 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2RECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652174-A1 TAM KINASE INHIBITORS Syros Pharmaceuticals, Inc. (US) 2020-05-20 EP claimed
WO-2019014513-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2019-01-17 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-1513844-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-16 EP claimed
EP-1511491-A1 DERIVATIVES OF AZEPINE AND THIAZEPAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP claimed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US claimed
US-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis THE PROCTER & GAMBLE COMPANY 2004-01-15 US claimed
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-25 US claimed
WO-2003106460-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-24 WO claimed
WO-2003103677-A1 DERIVATIVES OF AZEPINE AND THIAZERAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO claimed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 ALDH1A1 2447/4885KMT2A 3663/4885SMN1; SMN2 4846/4885
US-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis TST, SYVN1, TXN2 ALDH1A1 2280/4885KMT2A 3402/4885SMN1; SMN2 3617/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD ALDH1A1 4785/4885KMT2A 2120/4885SMN1; SMN2 3999/4885
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN ALDH1A1 284/4885KMT2A 3683/4885SMN1; SMN2 4073/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 ALDH1A1 2447/4885KMT2A 3663/4885SMN1; SMN2 4846/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 ALDH1A1 419/4885KMT2A 3415/4885SMN1; SMN2 4567/4885

“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.