SCHEMBL6205008

SCHEMBL6205008

CCCc1cc(O)c2cc(C#N)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.45
CTSS P25774 4/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP19A1 P11511 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PIN1 Q13526 1/20 0.37
DYRK1A Q13627 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
SCHEMBL6201487 0.81 CTSK (0.43) CTSKCTSSKDM4EMEN1KMT2A
SCHEMBL4744648 0.77 PIN1 (0.41) KDM4ESMN1; SMN2HPGDPIN1DYRK1A
SCHEMBL7420683 0.75 KDM4E (0.65) CTSKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6201684 0.72 KDM4E (0.50) KDM4EMEN1KMT2AHPGD
SCHEMBL5561501 0.72 PIN1 (0.49) ALOX15PIN1DYRK1A
SCHEMBL4269277 0.71 MCHR1 (0.53) SMN1; SMN2
SCHEMBL29632523 0.71 NT5E (0.41) KDM4EMEN1KMT2APOLBPIN1
SCHEMBL7219012 0.70 CTSK (0.51) CTSKCTSSSMN1; SMN2HPGDCYP19A1
SCHEMBL6201906 0.70 ALDH1A1 (0.53) KDM4EMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL22798956 0.70 SMN1; SMN2 (0.46) KDM4EMEN1KMT2ASMN1; SMN2CCNC

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 3015/4885KDM4E 480/4885

“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.