SCHEMBL5058378

SCHEMBL5058378

[c]1csc(Nc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
RAB9A P51151 7/20 0.46
GAA P10253 4/20 0.46
CSNK2A1 P68400 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
HSD17B10 Q99714 3/20 0.42
CCR4 P51679 1/20 0.42
MAPT P10636 8/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
TDP1 Q9NUW8 4/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL4713147 0.82 SMN1; SMN2 (0.40) KMT2ARAB9AGAAMAPTMEN1
SCHEMBL20578862 0.81 NPC1 (0.51) KMT2ARAB9AGAAHSD17B10MAPT
SCHEMBL27929163 0.81 MEN1 (0.49) KMT2ARAB9AGAAMAPTMEN1
SCHEMBL20578808 0.81 MAPT (0.47) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL5692832 0.69 CA1 (0.48) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL11666704 0.67 RAB9A (0.59) KMT2ARAB9AGAACSNK2A1PLK3
SCHEMBL1819182 0.65 MAPT (0.59) KMT2ARAB9AGAACSNK2A1PLK3
SCHEMBL722560 0.65 RAB9A (0.59) KMT2ARAB9AGAACSNK2A1PLK3
SCHEMBL8625316 0.64 HSD17B10 (0.42) KMT2ARAB9AGAACSNK2A1PLK3
Bromide SCHEMBL7502411 0.64 RAB9A (0.57) KMT2ARAB9AGAACSNK2A1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN claimed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN claimed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP claimed
CN-103442566-B The compound of Therapeutic cancer GTX, INC. (US) 2015-12-09 CN claimed
CN-103442566-A Compounds for treatment of cancer GTX INC 2013-12-11 CN claimed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed
CN-105585565-B - 4- thiazole the pyridine derivative of anilino- containing 2- and its preparation method and pharmaceutical composition and purposes 中国医学科学院药物研究所 2019-10-01 CN disclosed
CN-103442566-B The compound of Therapeutic cancer GTX, INC. (US) 2015-12-09 CN disclosed
CN-102883607-B Compounds for the treatment of cancer GTX INC 2015-07-22 CN disclosed
CN-104592205-A COMPOUNDS FOR TREATMENT OF CANCER GTX INC 2015-05-06 CN disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 EP disclosed
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 EP 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 (1 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-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 KMT2A 1686/4885RAB9A 3831/4885GAA 1233/4885

“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.