SCHEMBL4535243

SCHEMBL4535243

O=C(Nc1cc[nH]n1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
HIF1A Q16665 1/20 0.58
PIM1 P11309 1/20 0.57
PIM3 Q86V86 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
PRKAB2 O43741 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 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
SCHEMBL14082511 0.85 DEGS1 (0.62) LMNASMN1; SMN2TDP1KMT2A
SCHEMBL696662 0.82 KMT2A (0.58) HDAC6KMT2AHTT
SCHEMBL3419853 0.81 GAA (0.55) LMNAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6642201 0.76 KMT2A (0.67) LMNAHIF1AROCK2ROCK1SMN1; SMN2
SCHEMBL17627060 0.75 CCNA2 (0.72) LMNAHIF1APRKAB2PRKAG1PRKAA2
SCHEMBL28268366 0.75 LMNA (0.61) LMNAHIF1APIM1PIM3PIM2
SCHEMBL6646471 0.75 RAB9A (0.70) LMNAHIF1AROCK2ROCK1SMN1; SMN2
SCHEMBL31414959 0.75 RAB9A (0.70) LMNAHIF1AROCK2ROCK1SMN1; SMN2
SCHEMBL7163550 0.75 MEN1 (0.66) LMNASMN1; SMN2HDAC1HDAC6KCNK3
SCHEMBL3421073 0.75 NPC1 (0.63) SMN1; SMN2KCNK3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126347-B1 SUBSTITUTED PYRAZOLYL-NICOTIN(THIO)AMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-10-17 EP disclosed
US-10039283-B2 Substituted pyrazolyl-nicotin(thio)amide derivatives and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-07 US disclosed
US-20170142969-A1 SUBSTITUTED PYRAZOLYL-NICOTIN(THIO)AMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-25 US disclosed
EP-3126347-A1 SUBSTITUTED PYRAZOLYL-NICOTIN(THIO)AMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
WO-2015150352-A1 SUBSTITUTED PYRAZOLYL-NICOTIN(THIO)AMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-10-08 WO disclosed
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 US disclosed
EP-1945028-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS Merck & Co., Inc. (US) 2008-07-23 EP disclosed
WO-2007055942-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS MERCK & CO., INC. (US) 2007-05-18 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 (3 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-20170142969-A1 SUBSTITUTED PYRAZOLYL-NICOTIN(THIO)AMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES NAPRT, PIR, NAT1 LMNA 3206/4885HIF1A 4664/4885PIM1 837/4885
US-10039283-B2 Substituted pyrazolyl-nicotin(thio)amide derivatives and their use as fungicides NAPRT, PIR, NAT1 LMNA 3206/4885HIF1A 4664/4885PIM1 837/4885
US-20090105264-A1 Substituted Nicotinamide Compounds SIRT1, NQO1, TXNRD2 LMNA 2553/4885HIF1A 1397/4885PIM1 3421/4885

“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.