SCHEMBL30198708

SCHEMBL30198708

Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cc(F)c2c(c1)NCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 1.00
▸ CDK4 P11802 14/20 1.00
▸ CSF1R P07333 5/20 0.70
▸ PIK3CD O00329 3/20 0.70
▸ CCND3 P30281 8/20 0.67
▸ CCND1 P24385 5/20 0.67
▸ CCNA2 P20248 9/20 0.67
▸ CDK2 P24941 7/20 0.67
▸ PIM1 P11309 5/20 0.64
▸ CDK1 P06493 5/20 0.60
▸ CCNE2 O96020 3/20 0.60
▸ CDK9 P50750 2/20 0.59
▸ CCNK O75909 1/20 0.59
▸ CCNT1 O60563 1/20 0.58
▸ CDK7 P50613 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ CCNE1 P24864 1/20 0.58

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
SCHEMBL21245653 1.00 CDK6 (1.00) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL21245866 0.84 CDK4 (0.72) CDK6CDK4CSF1RPIK3CDCCNA2
SCHEMBL21245614 0.83 CDK4 (1.00) CDK6CDK4CSF1RPIK3CDCCNA2
SCHEMBL28536123 0.83 CDK4 (0.70) CDK6CDK4CSF1RPIK3CDCCNA2
SCHEMBL21245697 0.80 CDK4 (1.00) CDK6CDK4CSF1RPIK3CDCCNA2
SCHEMBL24482652 0.80 CDK6 (0.67) CDK6CDK4CCND3CCND1CCNA2
SCHEMBL29684372 0.80 CDK6 (0.67) CDK6CDK4CCND3CCND1CCNA2
Hydrochloric Acid SCHEMBL29896942 0.80 CDK6 (0.98) CDK6CDK4CSF1RPIK3CDCCND3
Hydrochloric Acid SCHEMBL28600803 0.80 CDK6 (0.98) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL21245690 0.80 CDK4 (1.00) CDK6CDK4CSF1RPIK3CDCCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CSF1R 4272/4885

“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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