SCHEMBL252517

SCHEMBL252517

COc1nc(NC(C)c2ccccc2)c2cc(NC(=O)C=CCN3CCOCC3)c(C3CC3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.44
▸ ERBB2 P04626 8/20 0.44
▸ ERBB4 Q15303 6/20 0.44
▸ SOS1 Q07889 6/20 0.42
▸ JAK3 P52333 1/20 0.41
▸ CDK7 P50613 4/20 0.41
▸ CDK13 Q14004 1/20 0.41
▸ CCNH P51946 3/20 0.40
▸ MNAT1 P51948 3/20 0.40

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
SCHEMBL252518 1.00 EGFR (0.44) EGFRERBB2ERBB4SOS1JAK3
SCHEMBL4039511 0.87 SOS1 (0.42) SOS1
SCHEMBL18010596 0.86 EGFR (0.41) EGFRSOS1
SCHEMBL3769823 0.82 EGFR (0.39) EGFRERBB2ERBB4SOS1JAK3
SCHEMBL3769825 0.82 EGFR (0.39) EGFRERBB2ERBB4SOS1JAK3
SCHEMBL3762497 0.82 SOS1 (0.40) EGFRERBB2SOS1
SCHEMBL3541445 0.82 SOS1 (0.40) EGFRERBB2SOS1
SCHEMBL27704368 0.81 EGFR (0.63) EGFRERBB2ERBB4JAK3
SCHEMBL3536485 0.81 EGFR (0.39) EGFRERBB2ERBB4SOS1JAK3
SCHEMBL3769044 0.81 EGFR (0.39) EGFRERBB2ERBB4SOS1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521595-B1 NOVEL DRUG COMPOSITIONS BASED ON NOVEL ANTICHOLINERGICS AND INHIBITORS OF EGFR-KINASE BOEHRINGER INGELHEIM PHARMA (DE) 2006-03-15 — — EP claimed
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 — — US disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 — — EP disclosed
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 — — US disclosed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 — — US disclosed
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 — — US disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 — — US disclosed
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 — — US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 — — US disclosed
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 — — EP disclosed
EP-2124943-A1 PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 — — EP disclosed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 — — US disclosed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 — — WO disclosed
WO-2008111009-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 — — WO disclosed
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 — — US disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 — — EP disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 — — WO disclosed
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-20 — — US disclosed
US-6951888-B2 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-04 — — US disclosed
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 — — 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 (10 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-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 PDE4A, PDE4B, PDE4C EGFR 3208/4885ERBB2 3152/4885ERBB4 903/4885
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B EGFR 2166/4885ERBB2 2035/4885ERBB4 1015/4885
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A EGFR 2210/4885ERBB2 1708/4885ERBB4 666/4885
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions CHRM1, CHRM2, ADRB1 EGFR 4105/4885ERBB2 3782/4885ERBB4 4537/4885
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions ADRA2C, ADRA1D, ADRB1 EGFR 4624/4885ERBB2 3735/4885ERBB4 4578/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C EGFR 2899/4885ERBB2 2591/4885ERBB4 794/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B EGFR 3419/4885ERBB2 1753/4885ERBB4 1365/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C EGFR 3554/4885ERBB2 2892/4885ERBB4 643/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B EGFR 2245/4885ERBB2 2128/4885ERBB4 744/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B EGFR 3378/4885ERBB2 1691/4885ERBB4 1285/4885

“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.

Send feedback