SCHEMBL6201487

SCHEMBL6201487

CCCc1cc(OC)c2cc(C#N)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.43
CTSS P25774 2/20 0.43
MCHR1 Q99705 1/20 0.43
PDE5A O76074 4/20 0.42
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 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
SCHEMBL26317691 0.89 PDE5A (0.43) PDE5AGAKRIPK2COQ8ANLK
SCHEMBL6205008 0.81 CTSK (0.45) CTSKCTSSMEN1KMT2ASMN1; SMN2
SCHEMBL25830618 0.79 DOT1L (0.49) PDE5AGAKRIPK2COQ8ANLK
Chimanine A SCHEMBL8588818 0.77 HPGD (0.59) PDE10ASMN1; SMN2HPGDKDM4E
SCHEMBL6204138 0.76 MCHR1 (0.50) MCHR1MEN1KMT2AKDM4E
SCHEMBL31587770 0.72 KDM4E (0.56) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL24010750 0.72 GAK (0.64) PDE5AGAKRIPK2COQ8ANLK
SCHEMBL6311566 0.72 RECQL (0.47) MCHR1MEN1KMT2APDE10ASMN1; SMN2
SCHEMBL4259484 0.72 MCHR1 (0.62) MCHR1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL6221751 0.72 MCHR1 (0.47) MCHR1MEN1KMT2APDE10ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 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 (1 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R CTSK 4072/4885CTSS 3015/4885MCHR1 1/4885

“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.