SCHEMBL20003982

SCHEMBL20003982

CCCNC(=O)CCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
CASP2 P42575 1/20 0.45
CNR1 P21554 1/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
NAAA Q02083 1/20 0.42
FAAH O00519 3/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
DNM1 Q05193 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MEN1 O00255 2/20 0.39
EPHX1 P07099 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL21078226 0.88 CASP2 (0.57) CASP2CNR1KMT2ANAAAFAAH
SCHEMBL9153 0.85 CASP2 (0.53) CASP2NAAAFAAHHPGDDNM1
SCHEMBL2031148 0.84
SCHEMBL16154442 0.83 KMT2A (0.46) MCL1CASP2CNR1KMT2AGAA
SCHEMBL19200702 0.82 FAAH (0.50) MCL1CASP2KMT2AGAAFAAH
SCHEMBL3351989 0.81 CASP2 (0.56) MCL1CASP2CNR1KMT2AGAA
SCHEMBL5987745 0.80 MCL1 (0.47) MCL1CASP2CNR1KMT2AGAA
SCHEMBL23774369 0.79 CASP2 (0.42) MCL1CASP2CNR1KMT2AGAA
SCHEMBL25565606 0.79 KMT2A (0.44) MCL1CASP2CNR1KMT2AGAA
SCHEMBL15474110 0.79 FAAH (0.61) CASP2CNR1NAAAFAAHHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 MCL1 567/4885CASP2 1917/4885CNR1 1624/4885

“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.