SCHEMBL954640

SCHEMBL954640

COc1ccc(CC#N)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.37
BMP1 P13497 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL9786028 0.89 AOC3 (0.39) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL12683187 0.83 TSHR (0.40) ALDH1A1TSHRMAPTKDM4E
SCHEMBL6234576 0.81 AOC3 (0.49) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL10648349 0.78 AOC3 (0.39) ALDH1A1TSHRMAPTLMNAPOLB
SCHEMBL150075 0.77 CA1 (0.40) MEN1KMT2ATSHRPOLBKDM4E
SCHEMBL6356440 0.77 AOC3 (0.38) ALDH1A1TSHRMAPTLMNAPOLB
SCHEMBL4992035 0.77 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL7097601 0.76 TUBB1 (0.35) ALDH1A1TSHRMAPTKDM4E
SCHEMBL7101461 0.76 MAPT (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5479089 0.76 ACHE (0.50) MEN1KMT2AALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
EP-2521452-A1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-11-14 EP disclosed
EP-2473511-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-07-11 EP disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
WO-2011085084-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-07-14 WO disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 US disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
WO-2005080313-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal PFIZER INC. 2005-08-18 US disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 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 (7 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 MEN1 2743/4885KMT2A 1417/4885ALDH1A1 313/4885
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 MEN1 3972/4885KMT2A 470/4885ALDH1A1 72/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R MEN1 4503/4885KMT2A 3784/4885ALDH1A1 130/4885
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DPYD, TYMS, TYMP MEN1 4638/4885KMT2A 2682/4885ALDH1A1 237/4885
US-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 MEN1 975/4885KMT2A 3620/4885ALDH1A1 128/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 MEN1 1038/4885KMT2A 1595/4885ALDH1A1 160/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 MEN1 4145/4885KMT2A 156/4885ALDH1A1 80/4885

“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.