SCHEMBL14321995

SCHEMBL14321995

O=C(O)NC1(c2ccc(Nc3nc(Nc4ccc(N5CCOCC5)cc4)ccc3[N+](=O)[O-])cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
STAT6 P42226 1/20 0.41
AKT1 P31749 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
PLK4 O00444 1/20 0.39
RAC1 P63000 1/20 0.39

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
SCHEMBL14321994 1.00 MAPT (0.45) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14322311 0.93 PIM1 (0.45) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14322309 0.93 PIM1 (0.45) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14320780 0.89 MAPT (0.40) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14320777 0.89 MAPT (0.40) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14322510 0.88 ALDH1A1 (0.46) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14322508 0.88 ALDH1A1 (0.46) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14328846 0.88 MAPT (0.41) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL14320758 0.86 GSK3B (0.43) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL14320760 0.86 GSK3B (0.43) MAPTMEN1MAPK1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 EP disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-8609688-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-12-17 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 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 (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-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 MAPT 2905/4885MEN1 1121/4885MAPK1 2544/4885
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 MAPT 2905/4885MEN1 1121/4885MAPK1 2544/4885

“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.