SCHEMBL20198802

SCHEMBL20198802

C=C1c2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C[C@@H]1NC(=O)C#CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ BLK P51451 2/20 0.75
▸ EGFR P00533 2/20 0.75
▸ ITK Q08881 2/20 0.75
▸ ERBB2 P04626 1/20 0.75
▸ RET P07949 1/20 0.75
▸ PDGFRB P09619 1/20 0.75
▸ FLT3 P36888 1/20 0.75
▸ TEC P42680 1/20 0.75
▸ TXK P42681 1/20 0.75
▸ BMX P51813 1/20 0.75
▸ ERBB4 Q15303 1/20 0.75
▸ LCK P06239 1/20 0.56

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
SCHEMBL22593966 1.00 BTK (1.00) BTKBLKEGFRITKERBB2
SCHEMBL24570594 1.00 BTK (1.00) BTKBLKEGFRITKERBB2
SCHEMBL21378172 0.89 BTK (0.84) BTKBLKEGFRITKERBB2
SCHEMBL21378174 0.89 BTK (0.84) BTKBLKEGFRITKERBB2
SCHEMBL21378187 0.86 BTK (1.00) BTKBLKEGFRITKERBB2
SCHEMBL20198766 0.86 BTK (1.00) BTKBLKEGFRITKERBB2
SCHEMBL20198764 0.85 BTK (0.77) BTKBLKEGFRITKERBB2
SCHEMBL20198763 0.85 BTK (0.77) BTKBLKEGFRITKERBB2
SCHEMBL17866138 0.83 BTK (0.71) BTKBLKEGFRITKERBB2
SCHEMBL17866139 0.83 BTK (0.71) BTKBLKEGFRITKERBB2

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 5 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
EP-3546460-B1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-07-08 — — EP disclosed
EP-3546460-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) 2019-10-02 — — EP 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 1/4885BLK 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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