SCHEMBL16715079

SCHEMBL16715079

CCSc1ccc(C#N)cc1N(N)C(=O)c1cc(C(F)(F)F)cc(Br)c1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 12/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.36
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MLYCD O95822 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRG P48443 1/20 0.30
▸ TACR1 P25103 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
SCHEMBL16529577 0.80 DDR1 (0.51) DDR1TMPRSS4
SCHEMBL16529578 0.78 DDR1 (0.43) DDR1TMPRSS4
SCHEMBL16715087 0.73 DDR1 (0.38) DDR1TMPRSS4
SCHEMBL16529985 0.67 DDR1 (0.69) DDR1TMPRSS4
SCHEMBL16676293 0.65 DDR1 (0.38) DDR1
SCHEMBL16528496 0.65 DDR1 (0.59) DDR1
SCHEMBL31543932 0.63 KMT2A (0.41) —
SCHEMBL16529280 0.63 KDM4E (0.46) —
SCHEMBL15358088 0.62 SLC6A2 (0.54) DDR1
SCHEMBL16529229 0.62 KDM4E (0.50) RXRARXRG

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-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 — — 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-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE PPARD, SLC5A2, PPARG DDR1 2764/4885TMPRSS4 1482/4885HCRTR1 3051/4885

“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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