SCHEMBL14927120

SCHEMBL14927120

Cc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CNC(=N)N)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ ADORA2A P29274 6/20 0.33
▸ ADORA1 P30542 6/20 0.33
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 2/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ HTR1D P28221 1/20 0.31

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
SCHEMBL12072801 0.87 KDM4E (0.47) CTSSCTSKPTGDRKDM4EALDH1A1
SCHEMBL14927111 0.82 CTSK (0.42) CTSSCTSKRXRARXRBKIF11
SCHEMBL14927019 0.81 CTSS (0.38) CTSSCTSKRXRARXRBKIF11
SCHEMBL14927103 0.80 KIF11 (0.40) CTSSCTSKRXRARXRBKIF11
SCHEMBL14927071 0.80 CTSS (0.37) CTSSCTSKRXRARXRBKIF11
SCHEMBL14927119 0.79 CTSS (0.42) CTSSCTSKRXRARXRBKIF11
SCHEMBL14927018 0.79 KIF11 (0.39) CTSSCTSKRXRARXRBKIF11
SCHEMBL14927109 0.76 KIF11 (0.45) CTSSCTSKRXRARXRBKIF11
SCHEMBL15125364 0.75 ABCG2 (0.49) RXRARXRBCYP1A2CYP3A4CYP2C9
SCHEMBL14927122 0.75 PTPRB (0.38) CTSSCTSKRXRARXRBTRPV3

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
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 CTSS 1995/4885CTSK 2530/4885ADORA2A 2497/4885

“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.

Send feedback