SCHEMBL4444623

SCHEMBL4444623

CC(C)(C)C1CNCCN1c1ccncc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 4/20 0.37
MAPT P10636 4/20 0.37
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKACA P17612 2/20 0.36
PRKACG P22612 2/20 0.36
PRKACB P22694 2/20 0.36
PRKCH P24723 2/20 0.36
PRKCI P41743 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCZ Q05513 2/20 0.36
PRKCD Q05655 2/20 0.36
PRKD1 Q15139 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL15770549 0.84 LATS1 (0.49) HTR2AHTR2CHTR2BHTTMAPT
SCHEMBL4437996 0.74 MAPT (0.53) HTTMAPTSMN1; SMN2MAPK1ALDH1A1
Pivalate SCHEMBL27791210 0.73 MAPT (0.45) HTTMAPTSMN1; SMN2MEN1KMT2A
Tert-Butyl Formate SCHEMBL27770095 0.71 MAPT (0.43) HTTMAPTSMN1; SMN2KMT2AMAPK1
SCHEMBL14216407 0.70 MAPT (0.56) HTR2BHTTMAPTSMN1; SMN2MAPK1
SCHEMBL12098036 0.69 MAPT (0.54) HTTMAPTMEN1KMT2ATP53
SCHEMBL15771126 0.68 GSK3B (0.42) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14216592 0.68 MAPT (0.50) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16702488 0.68 MAPT (0.47) HTTMAPTMTORPOLBGSK3B
SCHEMBL16702491 0.68 MAPT (0.47) HTTMAPTMTORPOLBGSK3B

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 7 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-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
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN 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 HTR2A 4196/4885HTR2C 4417/4885HTR2B 4671/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 HTR2A 4196/4885HTR2C 4417/4885HTR2B 4671/4885

“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.