SCHEMBL21391653

SCHEMBL21391653

C=C1c2c(-c3ccc(C(=O)O)cc3)c3c(N)ncnc3n2CC1NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.60
▸ BLK P51451 2/20 0.59
▸ EGFR P00533 1/20 0.59
▸ ERBB2 P04626 1/20 0.59
▸ RET P07949 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ FLT3 P36888 1/20 0.59
▸ TEC P42680 1/20 0.59
▸ TXK P42681 1/20 0.59
▸ BMX P51813 1/20 0.59
▸ ITK Q08881 1/20 0.59
▸ ERBB4 Q15303 1/20 0.59

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
SCHEMBL21391599 0.92 BTK (0.59) BTKBLKEGFRERBB2RET
SCHEMBL20198763 0.89 BTK (0.77) BTKBLKEGFRERBB2RET
SCHEMBL20198764 0.89 BTK (0.77) BTKBLKEGFRERBB2RET
SCHEMBL22593940 0.86 BTK (0.76) BTKBLKEGFRERBB2RET
SCHEMBL16525946 0.83 EGFR (0.59) BTKBLKEGFRERBB2RET
SCHEMBL21378159 0.80 BTK (0.62) BTKEGFRRET
SCHEMBL20198837 0.80 BTK (0.62) BTKEGFRRET
SCHEMBL21378172 0.77 BTK (0.84) BTKBLKEGFRERBB2RET
SCHEMBL21378174 0.77 BTK (0.84) BTKBLKEGFRERBB2RET
SCHEMBL16525921 0.75 EGFR (0.54) BTKBLKEGFRERBB2RET

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-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

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 1/4885BLK 9/4885EGFR 1581/4885
US-10829491-B2 Pyrimido[5,4-B]indolizine or pyrimido[5,4-B]pyrrolizine compound, preparation method and use thereof BTK, SYK, CDK8 BTK 1/4885BLK 9/4885EGFR 1581/4885

“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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