Sugi Predict

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SCHEMBL2229429

SCHEMBL2229429

C/C=C/C(=O)OCc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 1.00
▸ BTK Q06187 7/20 1.00
▸ JAK3 P52333 5/20 1.00
▸ ITK Q08881 7/20 0.61
▸ SYK P43405 2/20 0.54
▸ PKMYT1 Q99640 1/20 0.49
▸ JAK2 O60674 3/20 0.47
▸ AURKA O14965 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ ERBB2 P04626 1/20 0.47

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
SCHEMBL29722449 1.00 EGFR (1.00) EGFRBTKJAK3ITKSYK
SCHEMBL15900235 1.00 EGFR (1.00) EGFRBTKJAK3ITKSYK
SCHEMBL17620270 0.91 EGFR (1.00) EGFRBTKJAK3ITKSYK
SCHEMBL2226808 0.91 EGFR (1.00) EGFRBTKJAK3ITKSYK
SCHEMBL24486574 0.87 EGFR (0.77) EGFRBTKJAK3ITKSYK
SCHEMBL13166864 0.83 EGFR (0.82) EGFRBTKJAK3ITKSYK
SCHEMBL2226811 0.80 EGFR (0.71) EGFRBTKJAK3ITKSYK
SCHEMBL13165523 0.80 EGFR (0.77) EGFRBTKJAK3ITKSYK
SCHEMBL20927122 0.80 EGFR (0.66) EGFRBTKJAK3ITKSYK
SCHEMBL12518406 0.79 JAK1 (0.69) EGFRBTKJAK3ITKSYK

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 — — US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 — — US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 — — US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 — — EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 — — US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 — — US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 — — US disclosed
EP-2519235-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-11-21 — — EP disclosed
EP-2361248-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-09-19 — — EP disclosed
EP-2519235-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-11-07 — — EP disclosed
EP-2361248-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2011-08-31 — — EP disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 — — WO disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 — — WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 — — WO disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 — — 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 (7 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EGFR 460/4885BTK 261/4885JAK3 155/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 EGFR 176/4885BTK 149/4885JAK3 169/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EGFR 460/4885BTK 261/4885JAK3 155/4885

“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.