SCHEMBL3189390

SCHEMBL3189390

Cc1cc2[nH]c(=O)ccc2c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.56
PDE3A Q14432 5/20 0.56
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
DYRK1A Q13627 1/20 0.43
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.40
TNKS2 Q9H2K2 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10727584 0.82 PDE3B (0.53) PDE3BPDE3ACA12CA9KDM4E
SCHEMBL24996942 0.80 PDE3B (0.43) PDE3BPDE3ACA12CA9KDM4E
SCHEMBL24996736 0.80 PDE3B (0.42) PDE3BPDE3ACA12CA9KDM4E
SCHEMBL10726022 0.78 GAA (0.46) PDE3BPDE3ACA12CA9KDM4E
SCHEMBL9350602 0.77 PDE3B (0.49) PDE3BPDE3ACA12CA9LMNA
SCHEMBL10724755 0.74 PDE3B (0.69) PDE3BPDE3ACA12CA9KDM4E
SCHEMBL3177677 0.73 NPC1 (0.51) PDE3BPDE3AKDM4ELMNAHTT
SCHEMBL10730343 0.72 PDE3B (0.43) PDE3BPDE3ACA12CA9GAA
Medorinone SCHEMBL121782 0.72 PDE3B (1.00) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL3184818 0.72 KDM4E (0.49) KDM4ELMNAHTTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 WO disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
US-5281613-A Heterocyclic ring substituted benzofuran, benzothiofuran, or indole derivative IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 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 (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-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 PDE3B 811/4885PDE3A 822/4885CA12 4362/4885
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 PDE3B 2879/4885PDE3A 2180/4885CA12 3820/4885

“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.