SCHEMBL9853629

SCHEMBL9853629

CCCc1nc2cccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
PARP1 P09874 1/20 0.42
POLB P06746 2/20 0.41
DDAH1 O94760 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
PDPK1 O15530 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
SCHEMBL7026169 0.90 PARP1 (0.54) KDM4CPARP1POLBKDM4ENPC1
SCHEMBL4361327 0.86 DDAH1 (0.55) POLBDDAH1KDM4ESMN1; SMN2NPC1
SCHEMBL10514181 0.83 MAPT (0.37) PARP1POLBDDAH1SMN1; SMN2
SCHEMBL13233304 0.82 CYP1A2 (0.43) POLBDDAH1PDE10ASMN1; SMN2NPC1
SCHEMBL7002587 0.82 GAA (0.42) POLBDDAH1SMN1; SMN2NPC1LMNA
SCHEMBL15924586 0.80 PARP1 (0.42) PARP1POLB
SCHEMBL7823286 0.80 RAD52 (0.46) PARP1POLBNPC1LMNARAB9A
SCHEMBL6948812 0.79 PKM (0.58) POLBDDAH1SMN1; SMN2NPC1LMNA
SCHEMBL31660973 0.79 CYP1A2 (0.37) PARP1POLBPDE10ASMN1; SMN2NPC1
SCHEMBL18291869 0.79 ALDH1A1 (0.38) PARP1POLBDDAH1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP 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-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB KDM4C 3165/4885PARP1 1465/4885POLB 804/4885
US-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 KDM4C 1625/4885PARP1 2854/4885POLB 2603/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD KDM4C 2374/4885PARP1 3969/4885POLB 3377/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB KDM4C 3165/4885PARP1 1465/4885POLB 804/4885

“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.