SCHEMBL2090711

SCHEMBL2090711

CC1(C)COC(c2ccc(Cl)nc2)=N1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PIK3CD O00329 1/20 0.40
ATM Q13315 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NOTUM Q6P988 1/20 0.38
CYP2A6 P11509 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 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
Hydrochloric Acid SCHEMBL5740210 0.98 KDM4E (0.45) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL2089725 0.81 LMNA (0.39) HRH3CYP2D6HTTLMNAMAPT
SCHEMBL6188610 0.81 LMNA (0.47) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL471858 0.80 KDM4E (0.60) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL3762622 0.80 KDM4E (0.51) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL20410849 0.79 KDM4E (0.49) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL6189074 0.79 HRH3 (0.48) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL20410969 0.78 KDM4E (0.51) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL6205697 0.78 HRH3 (0.44) KDM4EHRH3CYP2D6HTTLMNA
SCHEMBL6050408 0.78 HRH3 (0.44) KDM4EHRH3CYP2D6HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US claimed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP claimed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2006-10-05 WO claimed
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US disclosed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2006-10-05 WO disclosed
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP disclosed
CN-1630637-A Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-06-22 CN disclosed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 KDM4E 2387/4885HRH3 58/4885CYP2D6 48/4885
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 KDM4E 2778/4885HRH3 742/4885CYP2D6 37/4885
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses NR1H3, NR1I3, NR1I2 KDM4E 3442/4885HRH3 196/4885CYP2D6 281/4885

“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.