SCHEMBL2012799

SCHEMBL2012799

CCc1nn2ccccc2c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
HDAC1 Q13547 2/20 0.37
MIF P14174 2/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE5A O76074 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE3A Q14432 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 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
SCHEMBL23382438 0.80 HDAC1 (0.46) DRD4DRD3DRD2HDAC1MIF
SCHEMBL6489306 0.80 DRD2 (0.39) DRD4DRD3DRD2HDAC1MIF
SCHEMBL6489300 0.79 DRD4 (0.38) DRD4DRD3DRD2HDAC1MIF
SCHEMBL5847660 0.79 EGFR (0.41) DRD4DRD3DRD2HDAC1MIF
Hydrochloric Acid SCHEMBL38663344 0.77 EGFR (0.41) DRD4DRD3DRD2HDAC1MIF
SCHEMBL1780171 0.76 HDAC1 (0.46) DRD4DRD3DRD2HDAC1MIF
SCHEMBL24415150 0.76 HDAC1 (0.38) DRD4DRD3DRD2HDAC1MIF
SCHEMBL23382439 0.76 MIF (0.43) DRD4DRD3DRD2HDAC1MIF
SCHEMBL15742623 0.76 PDE5A (0.38) DRD4DRD3DRD2HDAC1MIF
SCHEMBL16740123 0.75 HTR2C (0.32) MAPK14

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-20070191613-A1 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191613-A1 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191613-A1 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-08-16 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds EISAI CO.LTD. (JP) 2006-10-19 US disclosed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 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 (5 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-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 DRD4 4680/4885DRD3 4478/4885DRD2 4710/4885
US-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH DRD4 71/4885DRD3 109/4885DRD2 81/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 DRD4 70/4885DRD3 128/4885DRD2 91/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 DRD4 4680/4885DRD3 4478/4885DRD2 4710/4885
US-20070191613-A1 Process for production of pyrazole-fused ring derivatives CYP4F3, CYP4F2, CYP2F1 DRD4 173/4885DRD3 117/4885DRD2 196/4885

“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.