SCHEMBL20198816

SCHEMBL20198816

COC(=O)c1ccc(-c2c3n(c4ncnc(N)c24)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.59
▸ MAP4K4 O95819 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ RET P07949 1/20 0.41

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
SCHEMBL20198814 1.00 BTK (0.59) BTKMAP4K4SRCPIK3CDABL1
SCHEMBL20198837 0.93 BTK (0.62) BTKMAP4K4SRCEGFRRET
SCHEMBL21378159 0.93 BTK (0.62) BTKMAP4K4SRCEGFRRET
SCHEMBL17705887 0.91 BTK (0.67) BTKMAP4K4SRCEGFR
SCHEMBL21391601 0.88 BTK (0.78) BTKEGFRRET
SCHEMBL20198769 0.87 BTK (0.75) BTK
SCHEMBL15984370 0.83 BTK (0.50) BTKMAP4K4SRCEGFRKDR
SCHEMBL15491007 0.82 BTK (0.55) BTKMAP4K4EGFRRET
SCHEMBL15220955 0.82 BTK (0.55) BTKMAP4K4EGFRRET
SCHEMBL21391599 0.81 BTK (0.59) BTKEGFRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829491-B2 Pyrimido[5,4-B]indolizine or pyrimido[5,4-B]pyrrolizine compound, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACAD (CN) 2020-11-10 — — US disclosed
US-20190292183-A1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-09-26 — — US disclosed
WO-2018095398-A1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2018-05-31 — — WO 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-20190292183-A1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF BTK, SYK, CDK8 BTK 1/4885MAP4K4 1325/4885SRC 290/4885
US-10829491-B2 Pyrimido[5,4-B]indolizine or pyrimido[5,4-B]pyrrolizine compound, preparation method and use thereof BTK, SYK, CDK8 BTK 1/4885MAP4K4 1325/4885SRC 290/4885

“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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