SCHEMBL300799

SCHEMBL300799

CCc1ccc(OCCO)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GCK P35557 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
CD274 Q9NZQ7 2/20 0.38
ELOVL1 Q9BW60 1/20 0.37
LTA4H P09960 1/20 0.37
NR1I2 O75469 1/20 0.37
TP53 P04637 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL13848403 0.91 KDM4E (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30563568 0.89 SMN1; SMN2 (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28708911 0.89 SMN1; SMN2 (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19697169 0.85 APP (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13185115 0.81 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL12141547 0.80 MAPT (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9446834 0.80 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30230277 0.79 TLR7 (0.43) KDM4EL3MBTL1HRH3LTA4H
SCHEMBL21323265 0.79 GABRP (0.43) KDM4EL3MBTL1HRH3ACACB
SCHEMBL20195254 0.79 ACACB (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10487068-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2019-11-26 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
EP-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 EP disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (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-10487068-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA PIK3CD 3354/4885PIK3CA 3762/4885PIK3CB 3200/4885
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA PIK3CD 3354/4885PIK3CA 3762/4885PIK3CB 3200/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK PIK3CD 715/4885PIK3CA 342/4885PIK3CB 623/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 PIK3CD 315/4885PIK3CA 158/4885PIK3CB 299/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIK3CD 1571/4885PIK3CA 1028/4885PIK3CB 1033/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 PIK3CD 315/4885PIK3CA 158/4885PIK3CB 299/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 PIK3CD 315/4885PIK3CA 158/4885PIK3CB 299/4885
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIK3CD 1571/4885PIK3CA 1028/4885PIK3CB 1033/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIK3CD 1571/4885PIK3CA 1028/4885PIK3CB 1033/4885

“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.