SCHEMBL16202001

SCHEMBL16202001

COc1ccc(-n2cnc(C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
ADORA3 P0DMS8 3/20 0.42
P2RX7 Q99572 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 3/20 0.41
MAPK10 P53779 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
CNR1 P21554 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
SCHEMBL16202004 0.82 NQO1 (0.48) CYP1A2CYP2C9LMNAMAPTRAB9A
SCHEMBL6615348 0.81 CYP1A2 (0.48) CYP1A2CYP2C9HTTLMNAPTGS1
SCHEMBL21863285 0.81 NOTUM (0.51) CYP1A2HTTLMNAADORA3CA1
SCHEMBL13183810 0.80 ALDH1A1 (0.45) HTTLMNAADORA3MAPTMAPK10
SCHEMBL6132524 0.80 CYP1A2 (0.47) CYP1A2CYP2C9HTTLMNAPTGS2
SCHEMBL22897465 0.80 CYP1A2 (0.47) CYP1A2CYP2C9HTTLMNAPTGS1
SCHEMBL16202008 0.80 RXRA (0.45) HTTLMNAMAPTMAPK10KMT2A
SCHEMBL14617482 0.80 POLB (0.46) PTGS2MAPTMAPK10POLBSMN1; SMN2
SCHEMBL6614645 0.77 CYP1A2 (0.44) CYP1A2CYP2C9HTTLMNAADORA3
SCHEMBL14617483 0.77 RXRA (0.38) CYP1A2CYP2C9LMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391076-B2 Anti-cancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LTD. (AU) 2019-08-27 US disclosed
US-10292960-B2 Anticancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2019-05-21 US disclosed
CN-106543092-B Bis- aromatic radical -1,2,4- triazole compound of 1,5- and its pharmaceutical applications 华东师范大学 2019-05-17 CN disclosed
US-20180207124-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2018-07-26 US disclosed
US-20180207124-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2018-07-26 US disclosed
US-9907778-B2 Anticancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2018-03-06 US disclosed
US-9907778-B2 Anticancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2018-03-06 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
WO-2016137010-A1 ANTI CANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT NIHON NOHYAKU CO., LTD. (JP) 2016-09-01 WO disclosed
US-20160213640-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT NIHON NOHYAKU CO., LTD. (JP) 2016-07-28 US 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-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
WO-2015037747-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT NIHON NOHYAKU CO., LTD. (JP) 2015-03-19 WO 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 (9 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 CYP1A2 2785/4885CYP2C9 4076/4885HTT 3148/4885
US-10391076-B2 Anti-cancer agent comprising aminoacetonitrile compound as active ingredient RB1, CCNA1, CCNT1 CYP1A2 2057/4885CYP2C9 2599/4885HTT 3003/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 CYP1A2 4047/4885CYP2C9 4742/4885HTT 2598/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 CYP1A2 4047/4885CYP2C9 4742/4885HTT 2598/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB CYP1A2 335/4885CYP2C9 432/4885HTT 2375/4885
US-10292960-B2 Anticancer agent comprising aminoacetonitrile compound as active ingredient RB1, CCNA1, NAT1 CYP1A2 1324/4885CYP2C9 1843/4885HTT 2363/4885
US-20160213640-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT RB1, CCNA1, NAT1 CYP1A2 1324/4885CYP2C9 1843/4885HTT 2363/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB CYP1A2 335/4885CYP2C9 432/4885HTT 2375/4885
US-20180207124-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT RB1, CCNA1, NAT1 CYP1A2 1324/4885CYP2C9 1843/4885HTT 2363/4885

“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.