SCHEMBL17110314

SCHEMBL17110314

Cc1c(C(=O)N(CC(=O)c2c(N)cccc2Cl)Cc2cc(F)cc(F)c2)cnn1[C@H]1CC[C@H](C(C)=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NR3C1 P04150 6/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
P2RX7 Q99572 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL17110316 0.94 ALDH1A1 (0.34) ALDH1A1MAPTNR3C1CYP1A2CYP3A4
SCHEMBL17110313 0.88 ALDH1A1 (0.32) ALDH1A1MAPTP2RX7NTRK1
SCHEMBL17110302 0.86 ALDH1A1 (0.33) ALDH1A1MAPTNTRK1
SCHEMBL17110287 0.85
SCHEMBL17110290 0.85
SCHEMBL17110299 0.84 LPAR1 (0.34) ALDH1A1MAPTNTRK1
SCHEMBL17097419 0.84 NR3C1 (0.33) ALDH1A1NR3C1CYP1A2CYP3A4CYP2D6
SCHEMBL17097422 0.84 NR3C1 (0.33) ALDH1A1NR3C1CYP1A2CYP3A4CYP2D6
SCHEMBL17099181 0.83 HSD11B1 (0.35) ALDH1A1MAPTNR3C1CYP1A2CYP3A4
SCHEMBL17099183 0.83 HSD11B1 (0.35) ALDH1A1MAPTNR3C1CYP1A2CYP3A4

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-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA ALDH1A1 923/4885MAPT 3584/4885NR3C1 66/4885

“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.