SCHEMBL3700731

SCHEMBL3700731

O=[C]c1cnc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
FLT3 P36888 2/20 0.45
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
GGPS1 O95749 1/20 0.42
FDPS P14324 1/20 0.42
MIF P14174 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
EPHB3 P54753 1/20 0.40
DYRK1A Q13627 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL588837 0.81 NPSR1 (0.46) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL2016621 0.81 NPSR1 (0.46) ADORA3NPSR1FLT3NPC1RAB9A
Hydrochloric Acid SCHEMBL30318663 0.79 NPSR1 (0.45) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL15060843 0.78 NPSR1 (0.44) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL9609621 0.75 NPSR1 (0.41) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL28168450 0.73 NPC1 (0.44) ADORA3NPSR1NPC1RAB9AGGPS1
SCHEMBL16370609 0.73 NPSR1 (0.45) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL28149733 0.72 ALDH1A1 (0.40) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL23132987 0.69 NPSR1 (0.53) ADORA3NPSR1FLT3NPC1RAB9A
SCHEMBL84864 0.69 NPSR1 (0.50) ADORA3NPSR1FLT3NPC1RAB9A

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 6 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
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-8883819-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension IRM LLC (BM) 2014-11-11 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-2010074586-A1 PYRAZOLO[1,5-A]PYRIDINE AND IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-07-01 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 ADORA3 197/4885NPSR1 165/4885FLT3 44/4885
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ADORA3 197/4885NPSR1 165/4885FLT3 44/4885

“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.