SCHEMBL2123602

SCHEMBL2123602

C/C(=N\Cc1ccc(Cl)nc1)N(C)C#N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
POLB P06746 1/20 0.36
CHRNA7 P36544 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL30466039 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATMCHRNB2
SCHEMBL1405688 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATMCHRNB2
SCHEMBL15467058 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AATMCHRNB2
SCHEMBL739300 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMCHRNB2
SCHEMBL29441579 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMCHRNB2
SCHEMBL8305870 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMCHRNB2
SCHEMBL8803706 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMPOLB
SCHEMBL3255427 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATMPOLB
SCHEMBL5198321 0.74 NOS2 (0.50) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL5198326 0.74 NOS2 (0.50) ALDH1A1MEN1KMT2AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
US-20200396997-A1 A STABLE AGROCHEMICAL COMPOSITION UPL LTD (IN) 2020-12-24 US disclosed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN disclosed
WO-2019175701-A1 A STABLE AGROCHEMICAL COMPOSITION UPL LTD (IN) 2019-09-19 WO disclosed
US-8486429-B2 Storage stable formulation and a process for its preparation UNITED PHOSPHORUS, LTD. (IN) 2013-07-16 US disclosed
EP-2442648-A1 NMP-FREE FORMULATIONS OF NEONICOTINOIDS NUFARM (FR) 2012-04-25 EP disclosed
US-20110212151-A1 Synergistic Insecticidal Composition Containing Chloronicotynyle and Pyrethroids Compounds UNITED PHOSPHORUS, LIMITED (IN) 2011-09-01 US disclosed
WO-2010145994-A1 NMP-FREE FORMULATIONS OF NEONICOTINOIDS NUFARM (FR) 2010-12-23 WO disclosed
US-20090208423-A1 Synergistic Insecticidal Composition Containing Chloronicotynyle and Pyrethroids Compounds UNITED PHOSPHORUS, LTD. (IN) 2009-08-20 US disclosed
US-20090203746-A1 Synergistic Insecticidal Composition Containing Chloronicotynyle and Pyrethroids Compounds UNITED PHOSPHORUS, LTD. (IN) 2009-08-13 US disclosed
US-7531187-B2 Synergistic insecticidal composition containing chloronicotynyle and pyrethroids compounds UNITED PHOSPHORUS, LTD. (IN) 2009-05-12 US disclosed
US-7445791-B2 Synergistic insecticidal composition containing Chloronicotynyle and Organosphosphorus compounds UNITED PHOSPHORUS, LTD. (IN) 2008-11-04 US disclosed
US-20060293287-A1 Storage stable formulation and a process for its preparation UPL LIMITED (IN) 2006-12-28 US disclosed
WO-2006008614-A2 A SYNERGISTIC INSECTICIDAL COMPOSITION CONTAINING CHLORONICOTYNYLE AND PYRETHROIDS COMPOUNDS UNITED PHOSPHORUS, LTD. (US) 2006-01-26 WO disclosed
US-20060014724-A1 Synergistic insecticidal composition containing chloronicotynyle and pyrethroids compounds UPL LIMITED (IN) 2006-01-19 US disclosed
US-20060008493-A1 Synergistic insecticidal composition containing Chloronicotynyle and Organosphosphorus compounds UPL LIMITED (IN) 2006-01-12 US disclosed
US-20050171064-A1 Insecticide for Acarina comprising synergistic mixture including a 4-nitroimino or 4-cyanoimino 1,3,5-oxadiazine such as 5-(2-chlorothiazol-5-ylmethyl)-3-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine and another pesticide such as pirimicarb SENN ROBERT (CH) 2005-08-04 US disclosed
JP-2001064106-A INSECTICIDE AND ACARICIDE COMPOSITION SUMITOMO CHEM CO LTD 2001-03-13 JP disclosed
JP-2001064107-A HARMFUL ORGANISM CONTROLLER COMPOSITION CONTAINING SUBSTITUTED AMINOQUINAZOLINE DERIVATIVE NIPPON NOHYAKU CO LTD 2001-03-13 JP 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-20050171064-A1 Insecticide for Acarina comprising synergistic mixture including a 4-nitroimino or 4-cyanoimino 1,3,5-oxadiazine such as 5-(2-chlorothiazol-5-ylmethyl)-3-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine and another pesticide such as pirimicarb CNPY2, CBR3, CNPY3 ALDH1A1 2115/4885MEN1 4702/4885KMT2A 828/4885

“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.