SCHEMBL9995271

SCHEMBL9995271

Nc1nc2ccccc2n1-c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
NOS2 P35228 1/20 0.45
POLB P06746 2/20 0.44
NOD1 Q9Y239 6/20 0.43
CXCL8 P10145 4/20 0.43
NOD2 Q9HC29 3/20 0.43
ALDH3A1 P30838 1/20 0.43
TNF P01375 2/20 0.42
SOS1 Q07889 1/20 0.42
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CXCR4 P61073 1/20 0.41
TP53 P04637 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 1/20 0.39
LIMK1 P53667 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
SCHEMBL9995253 0.80 GSR (0.40) KMT2AMEN1POLBCYP1A2
SCHEMBL15856901 0.79 ESR1 (0.61) KMT2AMEN1POLBALDH3A1HTT
SCHEMBL7168183 0.77 NOS2 (0.53) KMT2AMEN1NOS2POLBNOD1
SCHEMBL1384105 0.77 RPS6KB1 (0.70) HTTTP53
SCHEMBL2309144 0.77 MAPK1 (0.61) KMT2AMEN1NOS2POLBNOD1
SCHEMBL21568779 0.77 KMT2A (0.45) KMT2AMEN1POLBHTTESR1
Hydrochloric Acid SCHEMBL7167676 0.76 NOS2 (0.52) KMT2AMEN1NOS2POLBHTT
SCHEMBL15214855 0.74 L3MBTL1 (0.56) KMT2AMEN1NOS2POLBNOD1
SCHEMBL7294918 0.74 NOS2 (0.50) KMT2AMEN1NOS2POLBNOD1
SCHEMBL5945572 0.74 ESR1 (0.54) KMT2AMEN1NOS2POLBNOD1

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
EP-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 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 (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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 KMT2A 1942/4885MEN1 747/4885NOS2 1226/4885

“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.