SCHEMBL22957906

SCHEMBL22957906

CCC(C)NCc1c(F)cccc1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RIPK1 Q13546 4/20 0.35
▸ TRPV3 Q8NET8 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ GNRHR P30968 1/20 0.32
▸ MRGPRX1 Q96LB2 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
SCHEMBL22957696 0.88 KDM4E (0.37) RIPK1TRPV3KDM4EHTTTDP1
SCHEMBL22957697 0.81 RIPK1 (0.41) MEN1KMT2ARIPK1KDM4EALDH1A1
SCHEMBL24180186 0.81 ALOX5AP (0.35) MEN1CYP1A2CYP2C19KMT2ARIPK1
SCHEMBL22957867 0.80 MCL1 (0.43) MEN1KMT2ARIPK1KDM4ETDP1
SCHEMBL22957665 0.80 RIPK1 (0.37) RIPK1KDM4EKDM1AMAOAPKM
SCHEMBL24018799 0.77 MAPT (0.39) MEN1CYP1A2KMT2ARIPK1KDM4E
SCHEMBL22957708 0.76 NTRK1 (0.42) MEN1CYP1A2CYP2C19KMT2ARIPK1
SCHEMBL25921571 0.74 TDP1 (0.38) MEN1CYP2C19KMT2AKDM4EHTT
SCHEMBL22389465 0.73 L3MBTL1 (0.36) MEN1KMT2ARIPK1KDM4ETDP1
SCHEMBL20414387 0.73 HTT (0.57) MEN1KMT2AKDM4EHTTTDP1

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 MEN1 3915/4885CYP1A2 2727/4885CYP2C19 1620/4885

“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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