SCHEMBL4435014

SCHEMBL4435014

O=C(Nc1cnccc1Cl)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
TRPV1 Q8NER1 5/20 0.57
P2RX7 Q99572 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDO2 P48775 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL27775337 0.88 P2RX7 (0.66) POLBTRPV1P2RX7NPC1RAB9A
SCHEMBL3782118 0.83 NPC1 (0.68) POLBP2RX7NPC1RAB9AKMT2A
SCHEMBL30207803 0.83 NPC1 (0.68) POLBP2RX7NPC1RAB9AKMT2A
SCHEMBL14068108 0.83 POLB (0.44) POLBTRPV1P2RX7NPC1RAB9A
SCHEMBL26114278 0.82 POLB (0.63) POLBTRPV1P2RX7NPC1RAB9A
SCHEMBL9450161 0.82 POLB (0.56) POLBTRPV1P2RX7NPC1RAB9A
SCHEMBL29950651 0.82 POLB (0.59) POLBTRPV1P2RX7NPC1RAB9A
SCHEMBL4466882 0.80 ALDH1A1 (0.56) TRPV1KMT2AMEN1ALDH1A1NAMPT
SCHEMBL29957414 0.79 POLB (0.59) POLBTRPV1P2RX7NPC1RAB9A
SCHEMBL896819 0.79 MEN1 (0.57) POLBTRPV1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 POLB 2606/4885TRPV1 4724/4885P2RX7 4544/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 POLB 2606/4885TRPV1 4724/4885P2RX7 4544/4885

“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.