SCHEMBL5042995

SCHEMBL5042995

Nc1nc2ccncc2cc1-c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
CHUK O15111 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPT P10636 4/20 0.34
GSK3B P49841 1/20 0.34
HASPIN Q8TF76 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
PDE7A Q13946 1/20 0.33
CLK1 P49759 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL928078 0.81 FGFR1 (0.47) DHFRFGFR1SRCTDP1CHUK
SCHEMBL928124 0.79 HSD17B10 (0.41) DHFRTDP1MAPTMEN1LMNA
SCHEMBL5748258 0.77 FGFR1 (0.65) FGFR1SRCLMNAEGFRCLK1
SCHEMBL5048118 0.76 DAO (0.44) DHFRTDP1CHUKMAPTLMNA
SCHEMBL5046354 0.74 FGFR1 (0.45) FGFR1SRCTDP1MAPTLMNA
SCHEMBL12908067 0.67 ALDH1A1 (0.37) TDP1CHUKMAPTMEN1LMNA
SCHEMBL927835 0.67 CHUK (0.42) TDP1CHUKMAPTMEN1LMNA
SCHEMBL3791741 0.66 DHFR (0.40) DHFRTDP1CHUKMAPTGSK3B
SCHEMBL3789454 0.65 DHFR (0.42) DHFRCHUKMAPTGSK3BHASPIN
SCHEMBL3790893 0.65 DHFR (0.40) DHFRTDP1CHUKNCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868018-B2 such as N [3-(2-(3-trifluoromethyl)-benzoylamino -[1,6]naphthyridin-3-yl)-2,4-dichloro-phenyl]-3-trifluoromethyl-benzamide, used as antiproliferative agents or for the treatment of autoimmune diseases and nervous system disorders IRM LLC (BM) 2011-01-11 US disclosed
US-7868018-B2 such as N [3-(2-(3-trifluoromethyl)-benzoylamino -[1,6]naphthyridin-3-yl)-2,4-dichloro-phenyl]-3-trifluoromethyl-benzamide, used as antiproliferative agents or for the treatment of autoimmune diseases and nervous system disorders IRM LLC (BM) 2011-01-11 US disclosed
US-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-12-04 US disclosed
US-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-12-04 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
WO-2007021795-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 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-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors SGK2, BRSK2, FYN DHFR 3661/4885FGFR1 239/4885SRC 4/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC DHFR 2120/4885FGFR1 76/4885SRC 3/4885

“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.