SCHEMBL25987180

SCHEMBL25987180

CC(C)c1cc(CC(C)c2ccnc(C(C)(F)F)c2)nc(C(C)(C)F)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CBLB Q13191 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ IDH2 P48735 1/20 0.31

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
SCHEMBL11994324 0.72 IDH1 (0.39) IDH1IDH2
SCHEMBL25998075 0.70 IDH1 (0.30) IDH1IDH2
SCHEMBL19706482 0.67 MDM2 (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24985772 0.67 RXRA (0.34) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL20889866 0.67 LMNA (0.37) CBLBIDH1IDH2
SCHEMBL20890457 0.66 IDH1 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL26791964 0.64 LOXL2 (0.35) CYP3A4CYP2D6CBLB
SCHEMBL25707474 0.63 LMNA (0.36) CBLB
SCHEMBL25636065 0.63 IDH1 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31691837 0.63 IDH1 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — 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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP3A4 4349/4885CYP2D6 4304/4885TSHR 2839/4885

“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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