SCHEMBL15716628

SCHEMBL15716628

[N-]=[N+]=Nc1cc(=O)n(CC(F)(F)F)nc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 6/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
SRC P12931 2/20 0.35
HTT P42858 4/20 0.35
PTGS2 P35354 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL18129997 0.77 SRC (0.44) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL18136497 0.77 NSD3 (0.46) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL15716929 0.77 BRD4 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL19645481 0.76 MEN1 (0.42) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL4219564 0.65 PTGS2 (0.40) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL13860604 0.65 KDM4E (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15716557 0.65 HPGD (0.54) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL13860502 0.65 PTGS2 (0.38) MEN1KMT2AALDH1A1SRCPTGS2
SCHEMBL17326656 0.65 HSD17B10 (0.59) KMT2ANPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL15657185 0.64 NR1H2 (0.41) MEN1KMT2ANPSR1ALDH1A1LMNA

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-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
WO-2014078378-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP MEN1 3667/4885KMT2A 4294/4885NPSR1 968/4885

“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.