SCHEMBL12574841

SCHEMBL12574841

C/C=C/c1nc2cc(OC(F)(F)F)ccc2nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
PDE2A O00408 2/20 0.40
PDE7A Q13946 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL7940431 0.84 PDE10A (0.40) PDE10APDE2APDE7APDE11ANPC1
SCHEMBL12574816 0.82 KDM4E (0.53) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL12574810 0.82 KDM4E (0.53) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL12574787 0.78 KDM4E (0.47) PDE10APDE2APDE7ASCN4ADHFR
SCHEMBL12574792 0.78 KDM4E (0.47) PDE10APDE2APDE7ASCN4ADHFR
SCHEMBL14473949 0.77 NPC1 (0.43) PDE10APDE2APDE7APDE11ANPC1
SCHEMBL14473943 0.77 NPC1 (0.43) PDE10APDE2APDE7APDE11ANPC1
SCHEMBL7935792 0.76 KDM4E (0.43) PDE10APDE2ANPC1RAB9ASMN1; SMN2
SCHEMBL12574606 0.76 KDM4E (0.43) PDE10APDE2ANPC1RAB9ASMN1; SMN2
SCHEMBL7937741 0.76 KDM4E (0.50) PDE10ARAB9ASMN1; SMN2CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PDE10A 1/4885PDE2A 10/4885PDE7A 12/4885

“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.