SCHEMBL12320924

SCHEMBL12320924

Cc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.78
▸ BCR P11274 12/20 0.78
▸ PRKCA P17252 4/20 0.77
▸ PDGFRB P09619 7/20 0.71
▸ PDGFRA P16234 7/20 0.71
▸ EGFR P00533 4/20 0.66
▸ JAK3 P52333 1/20 0.66
▸ BTK Q06187 1/20 0.66
▸ ITK Q08881 1/20 0.66
▸ KIT P10721 2/20 0.63
▸ GAA P10253 1/20 0.62

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
SCHEMBL22628286 0.90 ABL1 (0.70) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL805400 0.89 ABL1 (0.73) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL13437240 0.89 ABL1 (0.73) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL30359587 0.88 ABL1 (0.75) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL29555505 0.88 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL29005835 0.88 ABL1 (0.75) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL2392 0.88 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL29366999 0.88 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL3210634 0.88 ABL1 (0.75) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL18560357 0.88 ABL1 (0.75) ABL1BCRPRKCAPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319328-B2 4β-amino substituted podophyllotoxin derivative and preparation method therefor and use thereof Tang, YaJie 2022-05-03 — — US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 — — US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 — — US disclosed
EP-3782988-A1 CRYSTAL FORM OF 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYLANILINE MONOHYDROCHLORIDE AND USE THEREOF Arizest (Shanghai) Pharmatech Co., Ltd. (CN) 2021-02-24 — — EP disclosed
US-8912325-B2 Process for preparation of imatinib and its mesylate salt IND-SWIFT LABORATORIES LIMITED (US) 2014-12-16 — — US disclosed
WO-2011114337-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE CRYSTALLINE IMATINIB BASE NATCO PHARMA LIMITED (IN) 2011-09-22 — — WO disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 — — US disclosed
WO-2008135980-A1 IMATINIB PRODUCTION PROCESS CHEMAGIS LTD. (IL) 2008-11-13 — — WO disclosed
US-20080207904-A1 Imatinib base, and imatinib mesylate and processes for preparation thereof SICOR INC. 2008-08-28 — — US disclosed
US-20080103305-A1 Process for the preparation of imatinib SICOR INC. 2008-05-01 — — 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 (6 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-20080103305-A1 Process for the preparation of imatinib ABL1, ABL2, PDGFRA ABL1 1/4885BCR 10/4885PRKCA 178/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ABL1 3074/4885BCR 3418/4885PRKCA 2201/4885
US-11319328-B2 4β-amino substituted podophyllotoxin derivative and preparation method therefor and use thereof WEE1, WEE2, CYP51A1 ABL1 1033/4885BCR 1950/4885PRKCA 3030/4885
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS PDGFRB, PDGFRA, KIT ABL1 9/4885BCR 65/4885PRKCA 4/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 ABL1 3326/4885BCR 3333/4885PRKCA 2864/4885
US-20080207904-A1 Imatinib base, and imatinib mesylate and processes for preparation thereof ABL1, ABL2, MET ABL1 1/4885BCR 24/4885PRKCA 529/4885

“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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