SCHEMBL17331981

SCHEMBL17331981

Cc1cccn2cc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
GRM5 P41594 11/20 0.44
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL16632641 0.79 GRM5 (0.38) ALDH1A1KDM4EGRM5TSHRGAA
SCHEMBL7167679 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EGRM5HRH3NPC1
SCHEMBL17037349 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EGRM5GAAGLA
SCHEMBL16632488 0.72 AR (0.48) ALDH1A1KDM4EGRM5NPC1RAB9A
SCHEMBL16632447 0.69 AR (0.39) GRM5TSHRTP53GAA
SCHEMBL16632561 0.69 AR (0.41) ALDH1A1KDM4EGRM5NPC1RAB9A
SCHEMBL1994209 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EGRM5HRH3NPC1
SCHEMBL16632728 0.68 AR (0.46) ALDH1A1KDM4EGRM5NPC1RAB9A
SCHEMBL7169392 0.68 TSHR (0.39) ALDH1A1KDM4EGRM5NPC1RAB9A
SCHEMBL4566857 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EGRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661019-B Indolizine derivatives as phosphoinositide 3-kinase inhibitors 奇斯药制品公司 2021-09-10 CN disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
CN-106661019-A Indolizine derivatives as phoshoinositide 3-kinases inhibitors 奇斯药制品公司 2017-05-10 CN disclosed
EP-3157920-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2017-04-26 EP disclosed
US-9527869-B2 Indolizine derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9527869-B2 Indolizine derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9527869-B2 Indolizine derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
WO-2015193263-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-23 WO disclosed
WO-2015193263-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-23 WO disclosed
US-20150361100-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 US disclosed
US-20150361100-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 US disclosed
US-20150361100-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 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 (1 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-20150361100-A1 INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS PIP4K2B, PIP5K1B, PIP4K2A ALDH1A1 4722/4885KDM4E 3308/4885GRM5 1413/4885

“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.