SCHEMBL25935349

SCHEMBL25935349

C/C=C\C(=C/C)CNc1cncc(-c2nccc(Nc3cc(C)[nH]n3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.52
▸ EGFR P00533 3/20 0.49
▸ IGF1R P08069 5/20 0.39
▸ KDR P35968 5/20 0.39
▸ FGFR1 P11362 4/20 0.39
▸ AURKA O14965 3/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ INSR P06213 2/20 0.37
▸ SRC P12931 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24137487 0.80 ITK (0.65) ITKEGFRIGF1RKDRFGFR1
SCHEMBL802275 0.70 ITK (1.00) ITKEGFRIGF1RKDRFGFR1
SCHEMBL25934892 0.68 CDK8 (0.51) KDRFGFR1AURKAAURKBCLK4
SCHEMBL24137531 0.68 ITK (0.71) ITKEGFRIGF1RKDRFGFR1
SCHEMBL22420217 0.67 ITK (0.63) ITKEGFRIGF1RKDRFGFR1
SCHEMBL25934785 0.66 CDK7 (0.44) KDRAURKBCLK4
SCHEMBL13675351 0.66 ITK (0.49) ITKEGFRIGF1RKDRFGFR1
SCHEMBL25935020 0.66 CA12 (0.38) HPGD
SCHEMBL13675364 0.65 ITK (0.56) ITKEGFRIGF1RKDRFGFR1
SCHEMBL30230471 0.64 ITK (0.65) ITKEGFRIGF1RKDRFGFR1

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 ITK 597/4885EGFR 800/4885IGF1R 313/4885

“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.

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