SCHEMBL5909656

SCHEMBL5909656

O=Cc1ccc2ncc(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP6 P55212 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
VCAM1 P19320 1/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL4586234 0.82 ALDH1A1 (0.47) ALDH1A1TGFBR1
SCHEMBL14829741 0.79 TGFBR1 (0.42) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL15652730 0.79 KDM4E (0.42) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL4650676 0.77 ALDH1A1 (0.48) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL30908616 0.76 ALDH1A1 (0.47) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL22933041 0.76 ALDH1A1 (0.47) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL16963494 0.75 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL30775025 0.75 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL629503 0.75 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL4586080 0.75 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 CN disclosed
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2022-08-11 US disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 CN disclosed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 US disclosed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 US disclosed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 US disclosed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 US disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 EP disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 EP disclosed
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-02-20 US disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
US-4256882-A XANTHYLIUM DYES, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4219472-A 5-Aminomethyl-2-amino naphthyl-(1) azo dyes CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (4 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-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS ALDH1A1 955/4885MAPT 3397/4885POLB 1414/4885
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS ALDH1A1 955/4885MAPT 3397/4885POLB 1414/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS ALDH1A1 955/4885MAPT 3397/4885POLB 1414/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS ALDH1A1 955/4885MAPT 3397/4885POLB 1414/4885

“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.