SCHEMBL93523

SCHEMBL93523

C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 5/20 0.74
MAP2K1 Q02750 4/20 0.74
BTK Q06187 4/20 0.74
JAK3 P52333 7/20 0.71
EGFR P00533 5/20 0.71
JAK2 O60674 1/20 0.71
BLK P51451 1/20 0.71
BMX P51813 1/20 0.71
SRC P12931 3/20 0.66
MAPK1 P28482 2/20 0.66
FGFR1 P11362 1/20 0.66
FLT3 P36888 2/20 0.61

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
SCHEMBL30854787 1.00 MAP3K7 (0.74) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL29352639 1.00 MAP3K7 (0.74) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL10127876 0.88 JAK3 (0.80) BTKJAK3EGFRJAK2BLK
SCHEMBL28980968 0.87 BTK (0.80) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL31684778 0.87 BTK (0.80) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL22604799 0.85 BTK (0.62) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL10127962 0.85 BTK (1.00) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL22604617 0.85 EGFR (0.59) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL14914404 0.84 EGFR (0.70) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL28980965 0.83 MAP3K7 (0.81) MAP3K7MAP2K1BTKJAK3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP claimed
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol BROWN DENNIS (US) 2025-01-14 US disclosed
US-20240245634-A1 PCNA INHIBITORS AND EGFR INHIBITORS FOR CANCER TREATMENT UNITED STATES GOVERNMENT 2024-07-25 US disclosed
EP-3296905-B1 METHOD FOR IDENTIFYING NEW MARKERS ALACRIS THERANOSTICS GMBH (DE) 2023-11-08 EP disclosed
US-20230146638-A1 Treatment of EGFR-Driven Cancer with Fewer Side Effects G1 THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 CN disclosed
WO-2020206035-A1 TREATMENT OF CDK4/6 INHIBITOR RESISTANT NEOPLASTIC DISORDERS G1 THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
WO-2015013581-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
EP-2440559-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
WO-2012028334-A2 MARKER FOR SUNITINIB RESISTANCE FORMATION MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 WO disclosed
EP-2426213-A1 Marker for sunitnib resistance formation Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 MAP3K7 121/4885MAP2K1 155/4885BTK 84/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 MAP3K7 3752/4885MAP2K1 4428/4885BTK 2508/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 MAP3K7 3687/4885MAP2K1 3229/4885BTK 1276/4885
US-20240245634-A1 PCNA INHIBITORS AND EGFR INHIBITORS FOR CANCER TREATMENT PCNA, MKI67, EGFR MAP3K7 146/4885MAP2K1 71/4885BTK 647/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 MAP3K7 1668/4885MAP2K1 1460/4885BTK 4536/4885
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol HEXD, DDOST, PAICS MAP3K7 3307/4885MAP2K1 3856/4885BTK 2699/4885
US-20230146638-A1 Treatment of EGFR-Driven Cancer with Fewer Side Effects EGFR, CDK4, CDK6 MAP3K7 97/4885MAP2K1 87/4885BTK 100/4885

“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.