SCHEMBL25693695

SCHEMBL25693695

CC(C)c1cc(C(F)(F)F)cc(CN(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.41
▸ TACR1 P25103 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ NOS3 P29474 2/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ MCHR1 Q99705 1/20 0.32
▸ SLC6A2 P23975 3/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ GSR P00390 1/20 0.31
▸ CACNA1H O95180 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL18157881 0.84 NOS3 (0.39) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL13822035 0.72 CYP3A4 (0.58) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL12413780 0.72 CYP3A4 (0.44) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL18711831 0.70 CYP3A4 (0.43) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL562879 0.70 CYP3A4 (0.43) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL24355384 0.70 NOS3 (0.55) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL24199567 0.67 SLC6A4 (0.37) SLC6A4TACR1KCNH2CYP3A4CYP2D6
SCHEMBL25984882 0.67 KDM4E (0.41) CRHBPCRHR2MCHR1
SCHEMBL8274316 0.67 CXCR4 (0.37) TSHRGSR
SCHEMBL13130585 0.67 TACR1 (0.43) TACR1CYP2D6TSHRGSR

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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — US disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 — — 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 (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 SLC6A4 4466/4885TACR1 4788/4885KCNH2 4610/4885

“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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