SCHEMBL21160813

SCHEMBL21160813

CC(C)c1c2c(nn1C)Cc1cnc(N)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIKFYVE Q9Y2I7 5/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAP3K14 Q99558 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ POLB P06746 1/20 0.33

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 0.88 IGF1R (0.51) IGF1RPIK3CDPIK3R1PIKFYVEKDM4E
SCHEMBL21663206 0.86 PIK3CD (0.37) IGF1RPIK3CDPIK3R1PIKFYVECDK4
SCHEMBL21663171 0.84 PIK3CD (0.36) IGF1RPIK3CDPIK3R1PIKFYVECDK4
SCHEMBL21663057 0.77 CDK4 (0.52) IGF1RCDK4CCND1HRH4
SCHEMBL21663051 0.77 PIK3CD (0.40) PIK3CDPIK3R1PIKFYVEKDM4EALDH1A1
SCHEMBL21663024 0.76 IGF1R (0.46) IGF1RPIK3CDPIK3R1CDK4CCND1
SCHEMBL21663159 0.76 CDK4 (0.54) IGF1RPIK3CDPIK3R1CDK4CCND1
SCHEMBL21663201 0.73 CDK4 (0.54) IGF1RPIK3CDPIK3R1PIKFYVECDK4
SCHEMBL21663139 0.69 CDK4 (0.38) CDK4CCND1
SCHEMBL21663030 0.69 IGF1R (0.39) IGF1RKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505519-B1 PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2022-01-05 — — EP disclosed
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
EP-3505519-A1 PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-07-03 — — EP 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 IGF1R 3975/4885PIK3CD 431/4885PIK3R1 1351/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 IGF1R 3975/4885PIK3CD 431/4885PIK3R1 1351/4885

“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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