SCHEMBL2021348

SCHEMBL2021348

CCc1nc2ccc(F)cc2nc1C=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PSMB5 P28074 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL7934288 0.83 KDM4E (0.40) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL2024127 0.80 KDM4E (0.46) NPC1KMT2ARAB9AMEN1KDM4E
Formic Acid SCHEMBL27894120 0.79 NPC1 (0.44) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL2023290 0.79 KDM4E (0.44) NPC1KMT2ARAB9AKDM4ETSHR
SCHEMBL2052776 0.79 KDM4E (0.44) NPC1KMT2ARAB9AKDM4ETSHR
SCHEMBL2133266 0.76 KDM4E (0.53) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL30681903 0.76 KDM4E (0.53) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL12638660 0.76 KDM4E (0.53) NPC1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL7937979 0.76 KDM4E (0.53) NPC1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL7937796 0.75 KDM4E (0.41) NPC1KMT2ARAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP 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
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US 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 (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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A NPC1 4338/4885KMT2A 1750/4885RAB9A 1058/4885

“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.