SCHEMBL9950445

SCHEMBL9950445

COC(=O)c1cccc(-c2cc[nH]c(=O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.59
NOTUM Q6P988 1/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ERN1 O75460 4/20 0.52
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
PLAU P00749 2/20 0.49
NEK1 Q96PY6 2/20 0.48
PDK2 Q15119 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
ALDH2 P05091 1/20 0.46
TSHR P16473 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL6644162 0.86 EGFR (0.54) CDK8NOTUMCA12CA9CA1
SCHEMBL67941 0.85 CA12 (0.68) CDK8CA12CA9CA1CA2
SCHEMBL6881755 0.84 TP53 (0.51) NOTUM
SCHEMBL205408 0.83 CA1 (0.48) CDK8CA12CA9CA1CA2
SCHEMBL27715902 0.83 CA12 (0.71) CDK8CA12CA9CA1CA2
SCHEMBL1221576 0.80 TSHR (0.67) CDK8CA12CA9CA1CA2
SCHEMBL29410906 0.80 TSHR (0.67) CDK8CA12CA9CA1CA2
SCHEMBL9949385 0.80 CDK8 (0.57) CDK8CA12CA9CA1CA2
SCHEMBL3359577 0.78 CA12 (0.65) CDK8CA12CA9CA1CA2
SCHEMBL3032014 0.78 KMO (0.63) CDK8CA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813930-B2 Substituted imidazopyridazines and benzimidazoles as inhibitors of FGFR3 INCYTE CORPORATION (US) 2020-10-27 US disclosed
US-20190240220-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION 2019-08-08 US disclosed
US-20170165263-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION 2017-06-15 US disclosed
US-9533954-B2 Substituted imidazopyridazines and benzimidazoles as inhibitors of FGFR3 INCYTE CORPORATION (US) 2017-01-03 US disclosed
US-20140243308-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION (US) 2014-08-28 US disclosed
US-8754114-B2 Substituted imidazopyridazines and benzimidazoles as inhibitors of FGFR3 INCYTE CORPORATION (US) 2014-06-17 US disclosed
US-20120165305-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION 2012-06-28 US disclosed
WO-2012088266-A2 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION (US) 2012-06-28 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 (5 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-20190240220-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 FGFR3, FGFR4, FGFR2 CDK8 50/4885NOTUM 3789/4885CA12 2870/4885
US-20120165305-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 FGFR3, FGFR4, FGFR2 CDK8 50/4885NOTUM 3789/4885CA12 2870/4885
US-10813930-B2 Substituted imidazopyridazines and benzimidazoles as inhibitors of FGFR3 FGFR3, FGFR4, FGFR2 CDK8 50/4885NOTUM 3789/4885CA12 2870/4885
US-20170165263-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 FGFR3, FGFR4, FGFR2 CDK8 50/4885NOTUM 3789/4885CA12 2870/4885
US-20140243308-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 FGFR3, FGFR4, FGFR2 CDK8 50/4885NOTUM 3789/4885CA12 2870/4885

“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.