SCHEMBL17801769

SCHEMBL17801769

O=C(NCc1ccccn1)c1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.59
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 6/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49

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
SCHEMBL17801728 0.82 SMN1; SMN2 (0.49) NAMPTRAB9ANPC1LMNAKDM4E
SCHEMBL17801708 0.80 SMN1; SMN2 (0.47) NAMPTRAB9ANPC1LMNAPOLB
SCHEMBL14082531 0.79 LMNA (0.80) NAMPTRAB9ANPC1LMNAPOLB
SCHEMBL17801684 0.79 SMN1; SMN2 (0.46) NAMPTRAB9ANPC1LMNAPOLB
SCHEMBL28176313 0.79 SMN1; SMN2 (0.46) NAMPTRAB9ANPC1LMNAKDM4E
SCHEMBL17801688 0.79 KDM4E (0.74) RAB9ANPC1LMNAPOLBKDM4E
SCHEMBL17317982 0.77 ADORA2A (0.49) NAMPTRAB9ANPC1LMNAPOLB
SCHEMBL12725781 0.77 CYP1A2 (0.67) RAB9ANPC1LMNAPOLBKDM4E
SCHEMBL12725800 0.76 HPGD (0.54) NAMPTRAB9ANPC1LMNAPOLB
SCHEMBL26962595 0.76 CYP2D6 (0.61) RAB9ANPC1LMNAKDM4ENFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
CN-107207490-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NAMPT 2595/4885RAB9A 524/4885NPC1 2214/4885

“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.