SCHEMBL7927969

SCHEMBL7927969

C/C=C/c1nc2ccccc2nc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NCF1 P14598 1/20 0.36
MAPT P10636 6/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 5/20 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
SCHEMBL14781335 0.86 GAA (0.36) PDE10ASMN1; SMN2HTTGAANCF1
SCHEMBL7937705 0.83 GAA (0.34) SMN1; SMN2HTTGAATSHRALDH1A1
SCHEMBL7939699 0.80 KMT2A (0.43) PDE10ASMN1; SMN2GAATSHRALDH1A1
SCHEMBL2046631 0.79 KDM4E (0.42) PDE10ASMN1; SMN2HTTGAATSHR
SCHEMBL12708285 0.75 PDE10A (0.48) PDE10ASMN1; SMN2HTTGAATSHR
SCHEMBL7927833 0.75 PDE10A (0.48) PDE10ASMN1; SMN2HTTGAATSHR
SCHEMBL12574852 0.73 MAPT (0.41) SMN1; SMN2HTTGAAKDM4EALDH1A1
SCHEMBL12646636 0.73 MAPT (0.39) PDE10ASMN1; SMN2HTTGAATSHR
SCHEMBL7927978 0.70 KDM4E (0.40) SMN1; SMN2HTTGAATSHRKDM4E
SCHEMBL7930936 0.70 KDM4E (0.41) SMN1; SMN2HTTGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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 (2 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885SMN1; SMN2 3000/4885HTT 3952/4885
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A PDE10A 1/4885SMN1; SMN2 2888/4885HTT 4547/4885

“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.