SCHEMBL23808176

SCHEMBL23808176

Cc1ccc(NC(=O)N2N=CCC2c2ccc(F)cc2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
FGFR1 P11362 2/20 0.53
FGFR2 P21802 2/20 0.53
FGFR4 P22455 2/20 0.53
FGFR3 P22607 2/20 0.53
ROR1 Q01973 6/20 0.52
ABL1 P00519 11/20 0.51
CSF1R P07333 2/20 0.51
ABL2 P42684 2/20 0.48
CYP3A4 P08684 2/20 0.47
GAK O14976 1/20 0.47
MLNR O43193 1/20 0.47
RIPK2 O43353 1/20 0.47
JAK2 O60674 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
NR3C1 P04150 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL23808100 1.00 KCNH2 (0.53) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL23808095 1.00 KCNH2 (0.53) KCNH2FGFR1FGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL23801011 0.96 ABL1 (0.51) KCNH2FGFR1FGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL23801067 0.96 ABL1 (0.51) KCNH2FGFR1FGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL23800949 0.96 ABL1 (0.51) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL23808088 0.94 KCNH2 (0.53) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL23808147 0.94 KCNH2 (0.53) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL23808155 0.94 KCNH2 (0.53) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL23801069 0.93 ROR1 (0.54) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL23808150 0.93 ROR1 (0.54) KCNH2FGFR1FGFR2FGFR4FGFR3

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 1 patent. 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

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 KCNH2 3626/4885FGFR1 738/4885FGFR2 1187/4885

“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.