SCHEMBL16202033

SCHEMBL16202033

Cc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GCK P35557 1/20 0.43
SYK P43405 1/20 0.42
DCK P27707 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR1 O14842 1/20 0.41
ACHE P22303 1/20 0.41
AR P10275 1/20 0.40
PIN1 Q13526 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL24507690 0.89 MAP4K4 (0.56) MAP4K4POLBGAAGCKSYK
SCHEMBL7586510 0.87 AR (0.52) MAP4K4POLBGAAGCKDCK
SCHEMBL26714156 0.85 POLB (0.54) MAP4K4POLBGAADCKALDH1A1
SCHEMBL7173109 0.82 MAP4K4 (0.50) MAP4K4POLBGAASYKDCK
SCHEMBL30449029 0.82 MAP4K4 (0.50) MAP4K4POLBGAASYKDCK
SCHEMBL29390597 0.82 MAP4K4 (0.50) MAP4K4POLBGAASYKDCK
SCHEMBL10049643 0.82 MAP4K4 (0.50) MAP4K4POLBGAASYKDCK
SCHEMBL7173106 0.82 MAP4K4 (0.50) MAP4K4POLBGAASYKDCK
SCHEMBL5081706 0.81 AR (0.53) MAP4K4POLBGAAGCKDCK
SCHEMBL10073931 0.81 MAP4K4 (0.55) MAP4K4POLBGAASYKDCK

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
EP-3040073-B1 APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS SINOCHEM CORP (CN) 2020-07-08 EP disclosed
US-9895346-B2 Applications of substituent benzyloxy group containing ether compounds for preparing antitumor drugs SINOCHEM CORPORATION (CN) 2018-02-20 US disclosed
US-9895346-B2 Applications of substituent benzyloxy group containing ether compounds for preparing antitumor drugs SINOCHEM CORPORATION (CN) 2018-02-20 US disclosed
US-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-10-19 US disclosed
US-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-10-19 US disclosed
US-9643935-B2 Process for preparing 4,6-BIS (aryloxy) pyrimidine derivatives CHEMINOVA A/S (DK) 2017-05-09 US disclosed
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
EP-3040073-A1 APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS Sinochem Corporation (CN) 2016-07-06 EP disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160137612-A1 PROCESS FOR PREPARING 4,6-BIS (ARYLOXY) PYRIMIDINE DERIVATIVES CHEMINOVA A/S (DK) 2016-05-19 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (7 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 MAP4K4 4435/4885POLB 4052/4885GAA 244/4885
US-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, TPD52L2 MAP4K4 2015/4885POLB 3772/4885GAA 4031/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 MAP4K4 4422/4885POLB 4251/4885GAA 192/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MAP4K4 4422/4885POLB 4251/4885GAA 192/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAP4K4 4770/4885POLB 198/4885GAA 633/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAP4K4 4770/4885POLB 198/4885GAA 633/4885
US-20160137612-A1 PROCESS FOR PREPARING 4,6-BIS (ARYLOXY) PYRIMIDINE DERIVATIVES NUDT1, UMPS, DPYD MAP4K4 660/4885POLB 16/4885GAA 1697/4885

“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.