SCHEMBL8044614

SCHEMBL8044614

Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.60
CCNT1 O60563 2/20 0.60
CDK9 P50750 2/20 0.60
CDK5R1 Q15078 2/20 0.60
CDK14 O94921 7/20 0.57
CCNY Q8ND76 7/20 0.57
CDK2 P24941 6/20 0.57
CCNA2 P20248 4/20 0.57
CCNA1 P78396 3/20 0.57
CDK4 P11802 2/20 0.57
CDK1 P06493 2/20 0.57
CCNB1 P14635 2/20 0.57
CASK O14936 1/20 0.57
CDKL5 O76039 1/20 0.57
CCNB2 O95067 1/20 0.57
MAK P20794 1/20 0.57
CDK11B P21127 1/20 0.57
CCND1 P24385 1/20 0.57
CCNE1 P24864 1/20 0.57
CCND3 P30281 1/20 0.57

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
At-7519 SCHEMBL955568 0.94 CDK5 (0.67) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL953647 0.93 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL31046986 0.93 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL1069453 0.92 CDK5 (0.62) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL16318377 0.91 CDK5 (0.61) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL1072294 0.91 CDK5 (0.61) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286740 0.89 CDK2 (0.67) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL13993660 0.86 LMNA (0.46) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286739 0.83 CDK5 (0.53) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL954758 0.83 CDK2 (0.64) CDK5CCNT1CDK9CDK5R1CDK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-10-19 US disclosed
WO-2009061345-A2 TARGETING CDK4 AND CDK6 IN CANCER THERAPY CORNELL RESEARCH FOUNDATION, INC. (US) 2009-05-14 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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R CDK5 2396/4885CCNT1 3176/4885CDK9 1621/4885

“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.