SCHEMBL17487333

SCHEMBL17487333

Nc1cnc2nc(N3CCCC3)n(CCOc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.43
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
DRD3 P35462 1/20 0.36
MCHR1 Q99705 1/20 0.36
LTA4H P09960 3/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RUNX1 Q01196 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRM2 Q14416 1/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.34
KCNA5 P22460 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL17488279 0.85 NTRK1 (0.41) NTRK1ESR1ALDH1A1TSHRMAPK1
SCHEMBL17488263 0.85 NTRK1 (0.41) NTRK1ESR1MCHR1LTA4HPTGS1
SCHEMBL17488190 0.84 NTRK1 (0.41) NTRK1ESR1ALDH1A1TSHRMAPK1
SCHEMBL18960402 0.83 NTRK1 (0.41) NTRK1DRD3MCHR1RUNX1NR1I2
SCHEMBL17488188 0.83 NTRK1 (0.41) NTRK1ESR1NR1I2CYP1A2CYP2D6
SCHEMBL17487369 0.82 NTRK1 (0.39) NTRK1ESR1ALDH1A1TSHRMAPK1
SCHEMBL17487330 0.80 NTRK1 (0.42) NTRK1ESR1MCHR1NR1I2CYP1A2
SCHEMBL17487329 0.77 TRPV4 (0.41) NTRK1MCHR1NR1I2CYP1A2CYP2D6
SCHEMBL17487372 0.74 NTRK1 (0.39) NTRK1ESR1ALDH1A1TSHRMAPK1
SCHEMBL17488235 0.74 NTRK1 (0.41) NTRK1ESR1ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 NTRK1 1236/4885ESR1 678/4885ALDH1A1 582/4885

“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.