SCHEMBL617200

SCHEMBL617200

COC(=O)c1cc2cc(N)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.59
HRH4 Q9H3N8 1/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
PDGFRB P09619 2/20 0.50
PDGFRA P16234 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2A6 P11509 1/20 0.50
KEAP1 Q14145 1/20 0.50
MMP13 P45452 3/20 0.49
MMP2 P08253 2/20 0.49
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL6617197 0.88 LEF1 (0.58) XDHKDM4EALDH1A1RAB9ANPC1
SCHEMBL654862 0.87 HRH4 (0.55) XDHHRH4KDM4EALDH1A1HPGD
SCHEMBL17092514 0.87 HRH4 (0.55) XDHHRH4KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL23045607 0.86 HRH4 (0.53) XDHHRH4KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL31383573 0.86 HRH4 (0.53) XDHHRH4KDM4EALDH1A1HPGD
SCHEMBL656018 0.83 KDM4E (0.74) HRH4KDM4EALDH1A1HPGDRAB9A
SCHEMBL3494717 0.83 HRH4 (0.51) XDHHRH4KDM4EALDH1A1HPGD
SCHEMBL217022 0.82 FLT3 (0.67) XDHHRH4KDM4EALDH1A1HPGD
SCHEMBL214096 0.82 RAB9A (0.72) XDHHRH4KDM4EALDH1A1HPGD
SCHEMBL31310313 0.82 RAB9A (0.72) XDHHRH4KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102633778-B Synthesis method of anti-AIDS medicine delavirdine NANJING ACESYS PHARMACEUTICAL TECHNOLOGY CO LTD 2014-04-16 CN claimed
CN-102633778-A Synthesis method of anti-AIDS medicine delavirdine NANJING ACESYS PHARMACEUTICAL TECHNOLOGY CO LTD 2012-08-15 CN claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
WO-2016011940-A1 INDOLE-AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2016-01-28 WO disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
EP-0862553-A4 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 1999-02-03 EP disclosed
WO-1998052925-A1 ANALOGS OF DUOCARMYCIN AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 1998-11-26 WO disclosed
EP-0862553-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 1998-09-09 EP disclosed
US-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
WO-1997012862-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-04-10 WO disclosed
US-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US disclosed
EP-0594702-B1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS UPJOHN CO (US) 1997-01-29 EP disclosed
EP-0594702-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. UPJOHN CO (US) 1994-05-04 EP disclosed
WO-1993001181-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS THE UPJOHN COMPANY (US) 1993-01-21 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 (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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK XDH 3424/4885HRH4 1048/4885KDM4E 1662/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK XDH 3317/4885HRH4 1135/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK XDH 3317/4885HRH4 1135/4885KDM4E 1645/4885

“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.