SCHEMBL22232713

SCHEMBL22232713

Nc1ccc(F)c(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.44
CSF1R P07333 1/20 0.41
ROR1 Q01973 6/20 0.40
DDR1 Q08345 4/20 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
SCHEMBL14705592 0.85 CSF1R (0.55) ABL1CSF1RROR1DDR1
SCHEMBL24885728 0.82 ABL1 (0.46) ABL1CSF1RROR1DDR1
SCHEMBL22232727 0.80 ABL1 (0.43) ABL1CSF1RROR1DDR1
Trifluoroacetic Acid SCHEMBL30879813 0.78 ABL1 (0.58) ABL1CSF1RROR1DDR1
SCHEMBL16704334 0.73 MKNK1 (0.46) ABL1CSF1RROR1DDR1
SCHEMBL10207631 0.71 MKNK1 (0.44) ABL1CSF1RROR1DDR1
SCHEMBL22369939 0.70 MKNK1 (0.46) ABL1CSF1RROR1DDR1
SCHEMBL22232739 0.70 ABL1 (0.41) ABL1CSF1RROR1DDR1
SCHEMBL17471717 0.70 CSF1R (0.57) ABL1CSF1RROR1
SCHEMBL16085054 0.69 RIPK1 (0.52) ABL1CSF1RROR1DDR1

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 3 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
WO-2020149553-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR TREATMENT OF KINASE-RELATED DISEASE 주식회사 보로노이 2020-07-23 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 (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-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 163/4885CSF1R 1285/4885ROR1 435/4885

“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.