SCHEMBL2494880

SCHEMBL2494880

O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 5/20 0.62
LMNA P02545 4/20 0.62
MAPK1 P28482 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
POLB P06746 1/20 0.62
XBP1 P17861 1/20 0.62
KCNK3 O14649 1/20 0.58
KCNQ3 O43525 2/20 0.58
KCNQ2 O43526 2/20 0.58
KCNE1 P15382 2/20 0.58
KCNQ1 P51787 2/20 0.58
P2RX1 P51575 1/20 0.57
PTGS1 P23219 2/20 0.57
CSF1R P07333 1/20 0.57
KCNQ5 Q9NR82 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL15176813 0.88 MEN1 (0.68) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL811365 0.87 MAPT (0.60) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL374408 0.86 RAB9A (0.65) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL31650490 0.86 KMT2A (0.70) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL27180062 0.86 MCL1 (0.61) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL27179951 0.84 KMT2A (0.71) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL30822365 0.84 MEN1 (0.62) MEN1KMT2AMAPTLMNAKCNK3
SCHEMBL29227478 0.84 MEN1 (0.62) MEN1KMT2AMAPTLMNAKCNK3
SCHEMBL9237760 0.82 MEN1 (0.72) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL16246847 0.82 GPR17 (0.69) MEN1KMT2AMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 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 (1 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 MEN1 4727/4885KMT2A 1762/4885MAPT 3941/4885

“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.