SCHEMBL15036865

SCHEMBL15036865

O=C(c1cccc(OCC(F)(F)F)c1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 2/20 0.51
RECQL P46063 1/20 0.51
F10 P00742 4/20 0.49
PRSS1 P07477 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL30804719 0.84 L3MBTL3 (0.54) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL15036780 0.84 MRGPRX4 (0.53) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL15036781 0.84 LOX (0.48) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL16939952 0.83 HSD17B10 (0.47) LMNAPOLBMEN1KMT2AHTT
SCHEMBL29944002 0.81 RAB9A (0.73) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL24627425 0.80 MEN1 (0.60) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL7864765 0.80 MEN1 (0.60) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL7873479 0.78 MEN1 (0.59) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL1807570 0.78 HRH1 (0.54) POLBMEN1KMT2AGAARAB9A
SCHEMBL2946154 0.78 NR4A2 (0.63) KMT2ANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-30 US disclosed
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-30 US disclosed
EP-2791136-B1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER IP GMBH (DE) 2015-07-29 EP disclosed
WO-2013087579-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 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 (2 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-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS TTK, TXK, ITK HPGD 1439/4885LMNA 1519/4885POLB 1461/4885
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS CYP3A5, CYP2C19, CYP3A7 HPGD 135/4885LMNA 1549/4885POLB 2837/4885

“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.