SCHEMBL22625600

SCHEMBL22625600

C=Nc1nc(NC)ncc1/C=C(\C)c1cc(NC(=O)C(=O)OCc2ccccc2)cnc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ BTK Q06187 12/20 0.35
▸ EGFR P00533 3/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL22625546 0.91 BTK (0.41) ALDH1A1BTKEGFRJAK3BLK
SCHEMBL22625559 0.73 RAF1 (0.43) ALDH1A1BTKEGFRJAK3BLK
SCHEMBL22652926 0.72 ALDH1A1 (0.42) ALDH1A1BTKEGFRJAK3BLK
SCHEMBL24367126 0.70 ALDH1A1 (0.55) ALDH1A1BTKRAB9ATSHRSMN1; SMN2
SCHEMBL22625648 0.70 RAF1 (0.39) ALDH1A1
SCHEMBL22625605 0.67 RAF1 (0.49) ALDH1A1BTKEGFRJAK3BLK
SCHEMBL22652928 0.66 KDR (0.44) ALDH1A1BTKEGFRJAK3BLK
SCHEMBL22625634 0.64 LCK (0.45) BTKEGFRJAK3BLK
SCHEMBL29347859 0.62 ALDH1A1 (0.43) ALDH1A1BTKBLKRAB9ATSHR
SCHEMBL20143373 0.62 ALDH1A1 (0.62) ALDH1A1RAB9A

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 ALDH1A1 3044/4885BTK 24/4885EGFR 27/4885
US-10927111-B2 Inhibitors of RAF kinases BRAF, RAF1, NRAS ALDH1A1 3044/4885BTK 24/4885EGFR 27/4885
US-20210246135-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, NRAS ALDH1A1 3044/4885BTK 24/4885EGFR 27/4885

“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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