SCHEMBL470312

SCHEMBL470312

O=C(Cl)c1ccc(-n2cnnn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.69
NOTUM Q6P988 4/20 0.61
MAPT P10636 2/20 0.61
F2 P00734 1/20 0.61
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL1072252 0.83 KCNJ1 (0.71) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL3328195 0.83 KCNJ1 (0.71) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL12615985 0.82 NOTUM (0.78) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL334399 0.81 KCNJ1 (1.00) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL11955150 0.77 KCNJ1 (0.68) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL17470883 0.77 KCNJ1 (0.63) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL11967107 0.77 KCNJ1 (0.68) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL65798 0.77 TP53 (0.68) KCNJ1MAPTALDH1A1HPGDRAB9A
SCHEMBL460993 0.76 NOTUM (0.59) KCNJ1NOTUMRAB9A
SCHEMBL10738426 0.76 NOTUM (1.00) KCNJ1NOTUMMAPTF2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
CN-102574777-A Insecticidal carboxamides BAYER CROPSCIENCE AG 2012-07-11 CN disclosed
EP-2464624-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-06-20 EP disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 KCNJ1 568/4885NOTUM 3982/4885MAPT 4757/4885
US-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC KCNJ1 1786/4885NOTUM 81/4885MAPT 4596/4885

“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.