SCHEMBL270618

SCHEMBL270618

Cc1cn(-c2ccc(C(C)(C)C)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2E1 P05181 1/20 0.49
CYP2A6 P11509 1/20 0.49
NR2E1 Q9Y466 3/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PTK2 Q05397 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41

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
SCHEMBL27985278 0.86 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL22198914 0.84 NR2E1 (0.60) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL12111068 0.83 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL12372948 0.81 NR2E1 (0.58) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL2285981 0.80 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL22604349 0.80 CYP2E1 (0.51) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL24636026 0.77 CPB1 (0.43) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL15315567 0.77 NR2E1 (0.54) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL12907213 0.77 NR2E1 (0.45) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL264998 0.77 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 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-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-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

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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 CYP1A2 3438/4885CYP3A4 3736/4885CYP2D6 4367/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK CYP1A2 1992/4885CYP3A4 2947/4885CYP2D6 1648/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP1A2 1622/4885CYP3A4 1702/4885CYP2D6 965/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP1A2 1622/4885CYP3A4 1702/4885CYP2D6 965/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 CYP1A2 1622/4885CYP3A4 1702/4885CYP2D6 965/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 CYP1A2 1622/4885CYP3A4 1702/4885CYP2D6 965/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B CYP1A2 4129/4885CYP3A4 4652/4885CYP2D6 4426/4885

“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.