SCHEMBL21663305

SCHEMBL21663305

Cc1nc2c(n1C(C)C)-c1nc(N)ncc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.48
▸ CCND1 P24385 4/20 0.48
▸ PIK3CD O00329 2/20 0.37
▸ PIK3R1 P27986 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21663167 0.88 CDK4 (0.50) CDK4CCND1PIK3CDPIK3R1JAK2
SCHEMBL21663146 0.83 CDK4 (0.52) CDK4CCND1KDM4EALDH1A1POLB
SCHEMBL21663174 0.82 CDK4 (0.35) CDK4CCND1PIK3CDPIK3R1KDM4E
SCHEMBL21663152 0.77 CDK9 (0.34) CDK4CCND1PIK3CDPIK3R1MTOR
SCHEMBL21663301 0.75 ALDH1A1 (0.39) PIK3CDPIK3R1JAK2JAK1PIK3CA
SCHEMBL21662994 0.74 CDK4 (0.40) CDK4CCND1PIK3CDPIK3R1KDM4E
SCHEMBL21662998 0.71 CDK4 (0.52) CDK4CCND1PIK3CDPIK3R1KDM4E
SCHEMBL22612188 0.69 KDM4E (0.44) CDK4CCND1PIK3CDPIK3R1KDM4E
SCHEMBL21663312 0.69 DRD3 (0.34) PIK3CDPIK3R1PIK3CAKDM4EALDH1A1
SCHEMBL21160813 0.67 IGF1R (0.39) CDK4CCND1PIK3CDPIK3R1KDM4E

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 2561/4885PIK3CD 431/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 CDK4 973/4885CCND1 2561/4885PIK3CD 431/4885

“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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