SCHEMBL21663288

SCHEMBL21663288

CCn1nc2c(c1C(C)C)-c1nc(N)ncc1C(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 9/20 0.42
▸ CCND1 P24385 9/20 0.42
▸ IGF1R P08069 2/20 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
SCHEMBL21663024 0.86 IGF1R (0.46) CDK4CCND1IGF1R
SCHEMBL21663201 0.78 CDK4 (0.54) CDK4CCND1IGF1R
SCHEMBL21663192 0.77 CDK4 (0.57) CDK4CCND1
SCHEMBL21663289 0.76 CDK4 (0.41) CDK4CCND1
SCHEMBL21663159 0.73 CDK4 (0.54) CDK4CCND1IGF1R
SCHEMBL21160978 0.73 CDK4 (0.81) CDK4CCND1
SCHEMBL21663139 0.67 CDK4 (0.38) CDK4CCND1
SCHEMBL21663011 0.65 CDK4 (0.52) CDK4CCND1
SCHEMBL21663284 0.65 ALPL (0.39) —
SCHEMBL21160813 0.63 IGF1R (0.39) CDK4CCND1IGF1R

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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 — — US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 — — 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 (2 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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 CDK4 973/4885CCND1 2561/4885IGF1R 3975/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 CDK4 973/4885CCND1 2561/4885IGF1R 3975/4885

“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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