SCHEMBL4063968

SCHEMBL4063968

Cc1ccc(C(=O)O)cc1C#Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.62
KIT P10721 5/20 0.53
ABL1 P00519 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
FFAR1 O14842 1/20 0.45
CYP2A6 P11509 1/20 0.45
KMO O15229 1/20 0.44
DDR1 Q08345 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL22833738 0.88 CSF1R (0.61) CSF1RKITABL1PTGDR2CYP2A6
SCHEMBL22833769 0.86 CSF1R (0.68) CSF1RKITABL1PTGDR2ALDH1A1
SCHEMBL22854604 0.86 CSF1R (0.68) CSF1RKITABL1DDR1MKNK1
SCHEMBL11297061 0.85 CSF1R (0.67) CSF1RKITABL1DDR1
SCHEMBL4062149 0.85 CSF1R (0.46) CSF1RKITABL1HCAR2DDR1
SCHEMBL13765874 0.84 CSF1R (0.76) CSF1RKITABL1DDR1GRM5
SCHEMBL14616920 0.84 HAO1 (0.50) CSF1RKITFFAR1DDR1
SCHEMBL22854596 0.84 PTGDR2 (0.48) CSF1RKITPTGDR2ALDH1A1APP
SCHEMBL23501801 0.80 POLB (0.46) CSF1RKITABL1HCAR2FFAR1
SCHEMBL29934281 0.80 POLB (0.46) CSF1RKITABL1HCAR2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
WO-2022129914-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 WO disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 WO disclosed
EP-2665709-B1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RES CO LTD (IN) 2016-12-07 EP disclosed
CN-103502217-B Comprise the diaryl acetylene hydrazides of tyrosine kinase inhibitor SUN PHARMA ADVANCED RESEARCH CO.,LTD. (IN) 2015-11-25 CN 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-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
WO-2012098416-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2012-07-26 WO disclosed
CN-101489558-A Acetylenic heteroaryl compounds ARIAD PHARMA INC (US) 2009-07-22 CN disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 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 (3 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 CSF1R 3269/4885KIT 3086/4885ABL1 1035/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CSF1R 3269/4885KIT 3086/4885ABL1 1035/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK CSF1R 4175/4885KIT 457/4885ABL1 2/4885

“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.