SCHEMBL790555

SCHEMBL790555

O=C(Nc1cccnc1)c1ccc(Sc2ccc(Cl)cc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.70
CYP11B1 P15538 4/20 0.70
NAMPT P43490 6/20 0.67
LMNA P02545 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
BRAF P15056 1/20 0.57
KDR P35968 1/20 0.57
HIF1A Q16665 1/20 0.57
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.52

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
SCHEMBL15093435 0.89 NAMPT (0.68) CYP11B2CYP11B1NAMPTLMNAHIF1A
SCHEMBL789916 0.86 EPHX2 (0.65) CYP11B2CYP11B1NAMPTLMNAMEN1
SCHEMBL789589 0.86 RAB9A (0.70) CYP11B2CYP11B1NAMPTLMNAMEN1
SCHEMBL789647 0.85 CYP11B1 (0.71) CYP11B2CYP11B1LMNAMEN1KMT2A
SCHEMBL790263 0.84 LMNA (0.61) CYP11B2CYP11B1NAMPTLMNAHIF1A
SCHEMBL10978857 0.83 CYP11B1 (1.00) CYP11B2CYP11B1NAMPTLMNAMEN1
SCHEMBL789978 0.81 LMNA (0.64) CYP11B2CYP11B1NAMPTLMNASMN1; SMN2
SCHEMBL790944 0.81 NAMPT (0.55) CYP11B2CYP11B1NAMPTLMNAHIF1A
SCHEMBL790983 0.79 CYP11B1 (0.71) CYP11B2CYP11B1NAMPTLMNAMEN1
SCHEMBL12707716 0.79 LMNA (0.73) CYP11B2CYP11B1NAMPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C CYP11B2 308/4885CYP11B1 396/4885NAMPT 4575/4885

“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.