SCHEMBL22957708

SCHEMBL22957708

CCC(C)NCc1cc(F)ccc1OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HTR2A P28223 6/20 0.37
▸ SLC6A4 P31645 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MRGPRX1 Q96LB2 2/20 0.36
▸ RIPK1 Q13546 3/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ CASR P41180 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35

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
SCHEMBL22957928 0.90 NTRK1 (0.41) NTRK1MEN1KMT2AADRA1DADRA1A
SCHEMBL22957691 0.88 NTRK1 (0.44) NTRK1CYP1A2ADRA1DADRA1AADRA1B
SCHEMBL22957885 0.84 SLC6A4 (0.39) HTR2ASLC6A4KDM4ETDP1POLB
SCHEMBL22957698 0.80 SLC6A4 (0.56) NTRK1HTR2ASLC6A4RIPK1KCNH2
SCHEMBL25938010 0.79 SLC6A2 (0.42) NTRK1SLC6A4ALDH1A1
SCHEMBL22957906 0.76 MEN1 (0.39) MEN1CYP1A2CYP2C19KMT2AADRA1D
SCHEMBL24180218 0.76 PPARG (0.40) NTRK1MEN1CYP1A2KMT2AKDM4E
SCHEMBL22957926 0.75 NTRK1 (0.43) NTRK1MEN1CYP1A2KMT2AHTR2A
SCHEMBL22957866 0.74 HTR2A (0.37) HTR2ASLC6A4KDM4ETDP1KCNH2
SCHEMBL28613921 0.73 ALDH1A1 (0.44) NTRK1MEN1KMT2AHTR2ASLC6A4

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-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 NTRK1 448/4885MEN1 3915/4885CYP1A2 2727/4885

“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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