SCHEMBL21663201

SCHEMBL21663201

CCn1nc2c(c1C(C)C)-c1nc(N)ncc1CC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.54
▸ CCND1 P24385 4/20 0.54
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ IGF1R P08069 9/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ PIKFYVE Q9Y2I7 3/20 0.38
▸ MAP3K14 Q99558 1/20 0.37

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
SCHEMBL21663034 0.85 IGF1R (0.51) PIK3CDPIK3R1IGF1RKDM4EALDH1A1
SCHEMBL21663289 0.79 CDK4 (0.41) CDK4CCND1
SCHEMBL21663288 0.78 CDK4 (0.42) CDK4CCND1IGF1R
SCHEMBL21663192 0.78 CDK4 (0.57) CDK4CCND1PIK3CDPIK3R1KDM4E
SCHEMBL21160813 0.73 IGF1R (0.39) CDK4CCND1PIK3CDPIK3R1IGF1R
SCHEMBL21663206 0.71 PIK3CD (0.37) CDK4CCND1PIK3CDPIK3R1IGF1R
SCHEMBL24328657 0.70 KDM4E (0.42) PIK3CDPIK3R1KDM4EALDH1A1NPC1
SCHEMBL21662998 0.69 CDK4 (0.52) CDK4CCND1PIK3CDPIK3R1KDM4E
SCHEMBL21663171 0.69 PIK3CD (0.36) CDK4CCND1PIK3CDPIK3R1IGF1R
SCHEMBL21663042 0.68 CDK4 (0.37) CDK4CCND1

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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