SCHEMBL1237862

SCHEMBL1237862

COc1ccc(CC#N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APLNR P35414 1/20 0.41
MAOA P21397 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
NQO1 P15559 1/20 0.38
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL16480388 0.85 HSD17B10 (0.41) TSHRHBBHSD17B10L3MBTL1APLNR
SCHEMBL11474043 0.85 APLNR (0.43) HSD17B10APLNRKMT2AALDH1A1GAA
SCHEMBL3028744 0.82 ALDH1A1 (0.44) TSHRHBBHSD17B10L3MBTL1APLNR
SCHEMBL1237860 0.81 APLNR (0.58) TSHRAPLNRALDH1A1MAPTCA12
SCHEMBL29175430 0.81 APLNR (0.41) TSHRHBBHSD17B10L3MBTL1APLNR
SCHEMBL11825770 0.81 ALDH1A1 (0.38) HSD17B10KMT2AALDH1A1GAAPOLB
SCHEMBL1488919 0.80 NPC1 (0.43) HSD17B10L3MBTL1APLNRMAOBKMT2A
SCHEMBL13763197 0.80 ALDH1A1 (0.47) APLNRKMT2AALDH1A1GAAMEN1
SCHEMBL3992460 0.80 KDM1A (0.42) APLNRMAOAKDM1AMAOBALDH1A1
SCHEMBL837958 0.80 SLC6A4 (0.47) APLNRKMT2AALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000162-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES LLC (US) 2015-04-07 US disclosed
US-9000162-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES LLC (US) 2015-04-07 US disclosed
US-9000162-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES LLC (US) 2015-04-07 US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
CN-103922965-A Synthesis method for 4-methoxy-2-methyl benzyl cyanide XI AN RUILIAN MODERN ELECTRONIC CHEMICALS CO LTD 2014-07-16 CN disclosed
US-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-06-08 US disclosed
WO-2006044958-A1 PYRAZOLO [1,5-ALPHA] PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. (PR) 2006-04-27 WO disclosed
US-7034153-B2 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-25 US disclosed
US-20050143380-A1 Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-06-30 US disclosed
WO-2005051394-A1 SALT AND CRYSTALLINE FORM THEREOF OF A CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-09 WO disclosed
WO-2005051954-A2 PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5-a]-1,3,5-TRIAZINES AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-09 WO disclosed
US-20050113375-A1 Salt and crystalline form thereof of a corticotropin releasing factor receptor antagonist BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-05-26 US disclosed
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1354884-A1 TRICYCLIC AND HETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 EP disclosed
WO-2002072101-A1 A CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGAND, ITS ENANTIOMER AND PHARMACEUTICALLY ACCEPTABLE SALTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-19 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 (4 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-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient NR3C1, CRHR2, CRHR1 TSHR 271/4885HBB 1897/4885HSD17B10 1826/4885
US-20050113375-A1 Salt and crystalline form thereof of a corticotropin releasing factor receptor antagonist CRH, CRHR1, CRHR2 TSHR 200/4885HBB 3544/4885HSD17B10 3160/4885
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient CRH, CRHR1, CRHR2 TSHR 182/4885HBB 1110/4885HSD17B10 2472/4885
US-20050143380-A1 Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof CRHR1, CRH, CRHR2 TSHR 54/4885HBB 3514/4885HSD17B10 2511/4885

“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.