SCHEMBL17471695

SCHEMBL17471695

O=C(O)c1cccc(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.53
ROR1 Q01973 6/20 0.46
CSF1R P07333 1/20 0.45
SLC7A11 Q9UPY5 1/20 0.42
KMO O15229 1/20 0.38

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
SCHEMBL16201026 0.89 ABL1 (0.53) ABL1ROR1CSF1R
SCHEMBL17471694 0.86 ABL1 (0.53) ABL1ROR1CSF1R
SCHEMBL27897224 0.86 CSF1R (0.47) ABL1ROR1CSF1R
SCHEMBL10207631 0.81 MKNK1 (0.44) ABL1ROR1CSF1R
SCHEMBL589881 0.80 CSF1R (0.67) ABL1ROR1CSF1R
SCHEMBL29506341 0.80 CSF1R (0.67) ABL1ROR1CSF1R
SCHEMBL23808137 0.79 RIPK1 (0.53) ABL1
SCHEMBL24491379 0.79 CSF1R (0.49) ABL1ROR1CSF1R
SCHEMBL16201021 0.77 ABL1 (0.43) ABL1ROR1CSF1R
SCHEMBL10207521 0.75 ABL1 (0.79) ABL1ROR1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES VORONOI CO., LTD (KR) 2021-09-16 US disclosed
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES VORONOI CO., LTD (KR) 2021-09-16 US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
CN-103570724-A Synthesis method of ponatinib GUANGZHOU INST BIOMED & HEALTH 2014-02-12 CN 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 (2 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-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES MYLK3, MINK1, PLK2 ABL1 163/4885ROR1 435/4885CSF1R 1285/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 ABL1 1547/4885ROR1 1517/4885CSF1R 1248/4885

“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.