SCHEMBL17044850

SCHEMBL17044850

Cc1cc(C(F)(F)F)c(CN(C(=O)O)C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 5/20 0.36
▸ AGBL2 Q5U5Z8 1/20 0.35
▸ PTK2 Q05397 3/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL545297 0.76 NR1H2 (0.46) POLQLMNASLC6A2SLC6A4SLC6A3
SCHEMBL1818639 0.76 PTGDR2 (0.39) POLQLMNAPTGDR2SLC6A2SLC6A4
SCHEMBL16822059 0.75 EPHX2 (0.41) AGBL2ASPHHDAC3HDAC6CYP2D6
SCHEMBL16647335 0.73 KDM4E (0.39) POLQAGBL2LMNAPTGDR2P2RX7
SCHEMBL17292127 0.71 LMNA (0.45) LMNAKDM4E
SCHEMBL2581913 0.71 POLQ (0.42) POLQP2RX7KDM4EMEN1HTT
SCHEMBL28572896 0.71 LMNA (0.45) LMNAHDAC6HDAC4HDAC1MEN1
SCHEMBL17044825 0.70 PRKCQ (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL22447153 0.70 CACNA1H (0.35) AGBL2PTK2SLC6A4P2RX7KDM4E
SCHEMBL28115897 0.70 HPGD (0.37) PTK2LMNAKDM4E

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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 — — 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE POLQ 208/4885AGBL2 2404/4885PTK2 830/4885

“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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