SCHEMBL4933564

SCHEMBL4933564

COc1ccccc1CNc1scnc1C(=O)Nc1ccc(N2CCNCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CDK6 Q00534 3/20 0.43
ALOX12 P18054 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ATM Q13315 1/20 0.40
STAT6 P42226 1/20 0.40

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
SCHEMBL14114415 0.79 CDK4 (0.47) CDK4CCND1CDK6HDAC1HDAC2
Hydrochloric Acid SCHEMBL4937569 0.78 CDK4 (0.46) CDK4CCND1CDK6HDAC1HDAC2
SCHEMBL4930520 0.76 NTRK1 (0.47) KDM4EALDH1A1GAAMAPK1L3MBTL1
SCHEMBL4930535 0.74 ALDH1A1 (0.46) KDM4EALDH1A1GAAMAPTALOX15
SCHEMBL4936690 0.72 KDM4E (0.53) KDM4EALDH1A1GAAALOX15TDP1
SCHEMBL14114413 0.72 F10 (0.41) CDK4CCND1CDK6HDAC3HDAC1
SCHEMBL30820746 0.70 ALDH1A1 (0.55) CDK4CCND1CDK6KDM4EALDH1A1
SCHEMBL14114416 0.67 MAPKAPK2 (0.48) CDK6ALDH1A1MAPTTSHRHTT
SCHEMBL4932310 0.66 MAPT (0.55) ALDH1A1MAPTTSHRSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL4925435 0.66 MAPKAPK2 (0.47) CDK6ALDH1A1MAPTTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 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 (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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 CDK4 16/4885CCND1 36/4885CDK6 23/4885

“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.