SCHEMBL14743004

SCHEMBL14743004

COC(=O)c1ccc(C)c(NC(=O)c2cnc3cc(Br)ccn23)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 15/20 0.49
DDR2 Q16832 3/20 0.46
DDR1 Q08345 2/20 0.46
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CSF1R P07333 1/20 0.44

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
SCHEMBL14742562 0.89 PDGFRA (0.49) KITCSF1R
SCHEMBL14742825 0.88 CSF1R (0.44) KITDDR2DDR1CSF1R
SCHEMBL14738994 0.85 KIT (0.66) KITDDR2DDR1
SCHEMBL2048286 0.79 RAB9A (0.42) CSF1R
SCHEMBL14743032 0.79 NPC1 (0.52) KIT
SCHEMBL14754583 0.78 KIT (0.55) KITDDR2DDR1
SCHEMBL14758873 0.78 PDGFRA (0.50) KITCSF1R
SCHEMBL14743533 0.77 PDGFRA (0.49) KITCSF1R
SCHEMBL16370097 0.75 KIT (0.82) KITDDR2DDR1CSF1R
SCHEMBL14739838 0.75 KIT (0.66) KIT

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-9751876-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension NOVARTIS AG (CH) 2017-09-05 US disclosed
US-9751876-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension NOVARTIS AG (CH) 2017-09-05 US disclosed
US-9751876-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension NOVARTIS AG (CH) 2017-09-05 US disclosed
EP-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed
EP-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8883819-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension IRM LLC (BM) 2014-11-11 US disclosed
US-8883819-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension IRM LLC (BM) 2014-11-11 US disclosed
US-8883819-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension IRM LLC (BM) 2014-11-11 US disclosed
EP-2751108-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION Novartis AG (CH) 2014-07-09 EP disclosed
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-12 US disclosed
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-12 US disclosed
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-12 US disclosed
WO-2013030802-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2013-03-07 WO disclosed
WO-2013030802-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2013-03-07 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 (2 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-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB KIT 124/4885DDR2 654/4885DDR1 532/4885
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB KIT 124/4885DDR2 654/4885DDR1 532/4885

“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.