SCHEMBL273097

SCHEMBL273097

Cc1nn(C)cc1C(=O)Nc1ccccc1C(C)CC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
NAMPT P43490 1/20 0.47
GAA P10253 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALPL P05186 1/20 0.41
NTRK1 P04629 1/20 0.39
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.39
EGFR P00533 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.37

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
SCHEMBL10238267 0.89 ATM (0.46) ATMNAMPTGAAALDH1A1MAPT
SCHEMBL13295595 0.88 ATM (0.45) ATMGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL7790931 0.87 ATM (0.64) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL13295653 0.87 ATM (0.44) ATMGAANTRK1MAPTLMNA
SCHEMBL272573 0.86 ATM (0.62) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL274896 0.86 ATM (0.43) ATM
SCHEMBL6013470 0.86 ATM (0.43) ATMGAAALDH1A1NTRK1MAPT
SCHEMBL273197 0.86 LMNA (0.52) ATMGAANTRK1LMNA
SCHEMBL27706695 0.85 ATM (0.42) ATMGAASMN1; SMN2RAB9ACYP1A2
SCHEMBL4033424 0.83 PKM (0.39) ATMGAARAB9ACYP1A2CYP2C19

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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104170838-A ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG 2014-12-03 CN claimed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
CN-101212899-B Carboxamides BAYER CROPSCIENCE AG 2012-11-21 CN claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 US claimed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US claimed
EP-2046124-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS Syngeta Participations AG (CH) 2009-04-15 EP claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 US claimed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 EP claimed
WO-2008014955-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-07 WO claimed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
CN-113367135-A Agricultural mixtures comprising carboxamide compounds 巴斯夫农业化学品有限公司 2021-09-10 CN disclosed
CN-105939603-B Agricultural mixtures comprising carboxamide compounds 巴斯夫农业化学品有限公司 2021-06-22 CN disclosed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO disclosed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO disclosed
WO-2006105889-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-10-12 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 (6 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885NAMPT 1559/4885GAA 17/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 ATM 3315/4885NAMPT 279/4885GAA 185/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 ATM 4740/4885NAMPT 2921/4885GAA 3203/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 ATM 3226/4885NAMPT 177/4885GAA 533/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885NAMPT 1559/4885GAA 17/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 ATM 4681/4885NAMPT 287/4885GAA 584/4885

“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.