SCHEMBL8566065

SCHEMBL8566065

CNC(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC4 P56524 1/20 0.55
CNR2 P34972 2/20 0.54
NLRP3 Q96P20 1/20 0.54
MAPK8 P45983 2/20 0.51
MAPK10 P53779 1/20 0.51
RORC P51449 2/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
PIK3CA P42336 1/20 0.49
UTS2R Q9UKP6 2/20 0.48
SRD5A2 P31213 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL12809399 0.95 HDAC4 (0.58) HDAC1HDAC8HDAC4CNR2NLRP3
SCHEMBL10094801 0.92 HDAC1 (0.75) HDAC1HDAC8HDAC4CNR2NLRP3
SCHEMBL12993371 0.83 ESRRB (0.58) HDAC8NLRP3EPHX2ALDH1A1KCNH2
SCHEMBL714137 0.83 HDAC1 (0.63) HDAC1HDAC8CNR2NLRP3MAPK8
SCHEMBL4441717 0.82 HDAC1 (0.54) HDAC1HDAC8UTS2R
SCHEMBL29995593 0.81 HDAC1 (0.56) HDAC1HDAC8CNR2NLRP3MAPK8
Hydrochloric Acid SCHEMBL6208799 0.80 TACR1 (0.52) HDAC1HDAC8HDAC4KDM4ECYP2D6
SCHEMBL6850939 0.80 MEN1 (0.67) HDAC1HDAC8HDAC4MAPK8SIGMAR1
SCHEMBL14476867 0.79 HDAC1 (0.58) HDAC1HDAC8CNR2NLRP3MAPK8
SCHEMBL265118 0.79 PIK3CA (0.53) HDAC1HDAC8CNR2NLRP3PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HDAC1 371/4885HDAC8 445/4885HDAC4 492/4885

“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.