SCHEMBL22625546

SCHEMBL22625546

C=Nc1nc(NC)ncc1/C=C(\C)c1cc(NC(=O)C(=O)OCc2ccccc2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.41
▸ BLK P51451 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ EGFR P00533 6/20 0.38
▸ JAK3 P52333 2/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ITK Q08881 2/20 0.34
▸ BMX P51813 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22625600 0.91 ALDH1A1 (0.37) BTKBLKALDH1A1EGFRJAK3
SCHEMBL22625634 0.73 LCK (0.45) BTKBLKEGFRJAK3BMX
SCHEMBL22652928 0.72 KDR (0.44) BTKBLKALDH1A1EGFRJAK3
SCHEMBL22625605 0.72 RAF1 (0.49) BTKBLKALDH1A1EGFRJAK3
SCHEMBL22652926 0.67 ALDH1A1 (0.42) BTKBLKALDH1A1EGFRJAK3
SCHEMBL22625559 0.66 RAF1 (0.43) BTKBLKALDH1A1EGFRJAK3
SCHEMBL26165618 0.66 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ASCD
SCHEMBL20023001 0.64 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL22625561 0.63 KDR (0.59) BTKALDH1A1EGFRJAK3RAB9A
SCHEMBL24367126 0.62 ALDH1A1 (0.55) BTKALDH1A1MAPTKMT2ARAB9A

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-20210246135-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2021-08-12 — — US disclosed
US-10927111-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2021-02-23 — — US disclosed
US-20200347052-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2020-11-05 — — 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 (3 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-20200347052-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, NRAS BTK 24/4885BLK 70/4885ALDH1A1 3044/4885
US-10927111-B2 Inhibitors of RAF kinases BRAF, RAF1, NRAS BTK 24/4885BLK 70/4885ALDH1A1 3044/4885
US-20210246135-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, NRAS BTK 24/4885BLK 70/4885ALDH1A1 3044/4885

“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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