SCHEMBL270612

SCHEMBL270612

CC(C)(C)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.67
CYP11B2 P19099 9/20 0.67
CYP19A1 P11511 6/20 0.67
CYP2A6 P11509 1/20 0.64
CYP2B6 P20813 1/20 0.64
TBXAS1 P24557 5/20 0.61
POLB P06746 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
QPCT Q16769 1/20 0.61
CYP4Z1 Q86W10 1/20 0.61
QPCTL Q9NXS2 1/20 0.61
CYP17A1 P05093 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL1024261 0.85 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL15125705 0.85 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.83 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL20672042 0.83 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL17407556 0.83 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL14200258 0.83 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28140204 0.83 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL15125651 0.81 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL12245400 0.81 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL171734 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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
CN-112805381-A Compositions and methods for treating and preventing neurological disorders 优曼尼蒂治疗公司 2021-05-14 CN disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8530462-B2 Indole modulators of S1P receptors ALLERGAN, INC. (US) 2013-09-10 US disclosed
US-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS ALLERGAN, INC. (US) 2012-05-24 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US 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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 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
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 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 (7 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-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS S1PR1, S1PR3, S1PR2 CYP11B1 1547/4885CYP11B2 1741/4885CYP19A1 3783/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK CYP11B1 4119/4885CYP11B2 4044/4885CYP19A1 3877/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP11B1 3431/4885CYP11B2 3404/4885CYP19A1 3394/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP11B1 3431/4885CYP11B2 3404/4885CYP19A1 3394/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 CYP11B1 3431/4885CYP11B2 3404/4885CYP19A1 3394/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 CYP11B1 396/4885CYP11B2 532/4885CYP19A1 3693/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 CYP11B1 3431/4885CYP11B2 3404/4885CYP19A1 3394/4885

“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.