SCHEMBL3431387

SCHEMBL3431387

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5[nH]ncc5c4)c3)cc(C(C)(C)C)c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.68
BCR P11274 14/20 0.68
DDR1 Q08345 2/20 0.55
DDR2 Q16832 2/20 0.55
KIT P10721 1/20 0.55
FGFR1 P11362 1/20 0.52
CYP2C9 P11712 1/20 0.52
PDGFRA P16234 1/20 0.52
CYP2C19 P33261 1/20 0.52
FLT3 P36888 1/20 0.52
LRRK2 Q5S007 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SRC P12931 1/20 0.52
NTRK1 P04629 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
ROR1 Q01973 1/20 0.50

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
SCHEMBL29514804 1.00 ABL1 (0.68) ABL1BCRDDR1DDR2KIT
SCHEMBL29514920 0.97 ABL1 (0.65) ABL1BCRDDR1DDR2KIT
SCHEMBL14953144 0.97 ABL1 (0.65) ABL1BCRDDR1DDR2KIT
SCHEMBL3435403 0.93 ABL1 (0.79) ABL1BCRKITFGFR1CYP2C9
SCHEMBL29514917 0.93 ABL1 (0.79) ABL1BCRKITFGFR1CYP2C9
SCHEMBL29514979 0.90 ABL1 (0.62) ABL1BCRDDR1DDR2KIT
SCHEMBL3432754 0.90 ABL1 (0.62) ABL1BCRDDR1DDR2KIT
SCHEMBL29514905 0.89 ABL1 (0.63) ABL1BCRDDR1DDR2KIT
SCHEMBL3434563 0.89 ABL1 (0.63) ABL1BCRDDR1DDR2KIT
SCHEMBL27933405 0.88 ABL1 (0.66) ABL1BCRDDR1DDR2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235426-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2025-07-24 US claimed
US-20220142975-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-05-12 US claimed
CN-112237579-A Pharmaceutical composition and use thereof 苏州亚盛药业有限公司 2021-01-19 CN claimed
US-8846671-B2 Heterocyclic alkynyl benzene compounds and medical compositions and uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-09-30 US claimed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 US claimed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 EP claimed
EP-3999056-B1 PHARMACEUTICAL COMBINATION AND ITS USE IN THE PREVENTION AND TREATMENT OF CANCER ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2026-05-06 EP disclosed
US-20250235426-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2025-07-24 US disclosed
US-12233047-B2 Pharmaceutical combination and use thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2025-02-25 US disclosed
US-20220142975-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-05-12 US disclosed
CN-112237579-B Pharmaceutical composition and use thereof 苏州亚盛药业有限公司 2022-03-29 CN disclosed
CN-112237579-A Pharmaceutical composition and use thereof 苏州亚盛药业有限公司 2021-01-19 CN disclosed
EP-3741751-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Healthquest Pharma Co., Ltd. (CN) 2020-11-25 EP disclosed
US-8846671-B2 Heterocyclic alkynyl benzene compounds and medical compositions and uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-09-30 US disclosed
US-8846671-B2 Heterocyclic alkynyl benzene compounds and medical compositions and uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-09-30 US disclosed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 US disclosed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 US disclosed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 EP disclosed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 EP disclosed
WO-2012000304-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF 中国科学院广州生物医药与健康研究院 (CN) 2012-01-05 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-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF ABCB1, VHL, ABCC1 ABL1 23/4885BCR 16/4885DDR1 1290/4885
US-12233047-B2 Pharmaceutical combination and use thereof SLC5A6, SLC10A1, SLC26A4 ABL1 653/4885BCR 3365/4885DDR1 3052/4885
US-20250235426-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 ABL1 640/4885BCR 3281/4885DDR1 3071/4885
US-20220142975-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 ABL1 653/4885BCR 3365/4885DDR1 3052/4885

“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.