SCHEMBL16885113

SCHEMBL16885113

CCSc1ccccc1-c1nc2cc(C)cnc2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 14/20 0.43
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE6D O43924 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 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
SCHEMBL16666271 0.85 KDM4E (0.39) PDE5AADORA3ADORA2AADORA1KDM4E
SCHEMBL16885077 0.84 GUSB (0.46) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL15426464 0.83 ALOX5AP (0.43) PDE5AADORA3ADORA2AADORA1KDM4E
SCHEMBL16885115 0.82 PDE5A (0.44) PDE5AADORA3ADORA2AADORA1KDM4E
SCHEMBL16885124 0.74 NPC1 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL16666988 0.73 L3MBTL1 (0.48) KDM4EALDH1A1SMN1; SMN2GUSBMEN1
SCHEMBL16885104 0.72 ALOX5AP (0.36) ADORA3ADORA2AADORA1ALDH1A1NPC1
SCHEMBL16885128 0.72 NPC1 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL16885092 0.70 MAPT (0.49) ALDH1A1NPC1GUSBMEN1LMNA
SCHEMBL10739495 0.70 NPC1 (0.49) PDE5AADORA3ADORA2AADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328121-B1 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-03 — — US disclosed
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 — — US disclosed
US-9260436-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 — — US disclosed
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-09 — — 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-20160102100-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, CYP4B1, NR1H4 PDE5A 3903/4885ADORA3 565/4885ADORA2A 805/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 PDE5A 3907/4885ADORA3 807/4885ADORA2A 1556/4885

“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.

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