SCHEMBL4067236

SCHEMBL4067236

CC(=O)Nc1ccc(C#Cc2cc(C(=O)O)ccc2C)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.52
ROR1 Q01973 1/20 0.50
LCK P06239 3/20 0.46
KDR P35968 3/20 0.46
TEK Q02763 3/20 0.46
KIT P10721 11/20 0.45
DDR1 Q08345 9/20 0.45
DDR2 Q16832 1/20 0.42
CSF1R P07333 1/20 0.42
PTK2 Q05397 1/20 0.42
HCAR3 P49019 1/20 0.40

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
SCHEMBL20133506 0.89 ABL1 (0.51) ABL1ROR1LCKKDRTEK
SCHEMBL29483761 0.86 KIT (0.45) ABL1LCKKDRTEKKIT
SCHEMBL18247795 0.86 KIT (0.45) ABL1LCKKDRTEKKIT
SCHEMBL4063551 0.85 ABL1 (0.51) ABL1ROR1LCKKDRTEK
SCHEMBL18247796 0.85 ABL1 (0.45) ABL1ROR1LCKKDRTEK
SCHEMBL21678130 0.81 LCK (0.46) ABL1ROR1LCKKDRTEK
SCHEMBL18257238 0.79 ABL1 (0.59) ABL1KITDDR1DDR2
SCHEMBL18257151 0.79 ABL1 (0.68) ABL1ROR1LCKKDRTEK
SCHEMBL4245285 0.79 LCK (0.41) ABL1LCKKDRTEKKIT
SCHEMBL4245130 0.79 SORT1 (0.46) ABL1ROR1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297991-B1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES SUN PHARMA ADVANCED RES CO LTD (IN) 2020-01-29 EP disclosed
EP-3297991-B1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES SUN PHARMA ADVANCED RES CO LTD (IN) 2020-01-29 EP disclosed
US-10150733-B2 Amidoheteroaryl aroyl hydrazide ethynes SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2018-12-11 US disclosed
US-20180127372-A1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2018-05-10 US disclosed
US-20180127372-A1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2018-05-10 US disclosed
EP-3297991-A1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES Sun Pharma Advanced Research Company Ltd (IN) 2018-03-28 EP disclosed
WO-2016185490-A1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2016-11-24 WO disclosed
WO-2016185490-A1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2016-11-24 WO disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
EP-2023933-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 EP disclosed
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 WO disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 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 (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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ABL1 1035/4885ROR1 2716/4885LCK 4467/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ABL1 1035/4885ROR1 2716/4885LCK 4467/4885
US-20180127372-A1 NOVEL AMIDOHETEROARYL AROYL HYDRAZIDE ETHYNES ERBB2, ABL1, ERBB3 ABL1 2/4885ROR1 486/4885LCK 43/4885
US-10150733-B2 Amidoheteroaryl aroyl hydrazide ethynes ERBB2, ABL1, ERBB3 ABL1 2/4885ROR1 457/4885LCK 49/4885

“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.