SCHEMBL22957926

SCHEMBL22957926

CS(=S)NCc1cc(F)ccc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.43
▸ RIPK1 Q13546 3/20 0.38
▸ HTR2A P28223 7/20 0.38
▸ SLC6A4 P31645 7/20 0.38
▸ KCNH2 Q12809 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MRGPRX1 Q96LB2 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL22957698 0.81 SLC6A4 (0.56) NTRK1RIPK1HTR2ASLC6A4KCNH2
SCHEMBL22957691 0.78 NTRK1 (0.44) NTRK1RIPK1HTR2ASLC6A4KCNH2
SCHEMBL22957708 0.75 NTRK1 (0.42) NTRK1RIPK1HTR2ASLC6A4KCNH2
SCHEMBL28613921 0.74 ALDH1A1 (0.44) NTRK1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL24180218 0.74 PPARG (0.40) NTRK1ALDH1A1MRGPRX1CYP1A2CYP2C9
SCHEMBL22390440 0.74 NTRK1 (0.40) NTRK1RIPK1ALDH1A1MRGPRX1CYP1A2
SCHEMBL3291252 0.73 MAPT (0.46) NTRK1SLC6A4ALDH1A1MRGPRX1CYP1A2
SCHEMBL22957928 0.73 NTRK1 (0.41) NTRK1RIPK1HTR2ASLC6A4KCNH2
SCHEMBL14409249 0.70 SSTR4 (0.46) SLC6A4ALDH1A1MRGPRX1CYP1A2CYP2C9
SCHEMBL263774 0.66 PKM (0.56) HTR2AALDH1A1MRGPRX1CYP1A2CYP2C9

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 448/4885RIPK1 1/4885HTR2A 2314/4885

“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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