SCHEMBL2021969

SCHEMBL2021969

CCOC(=O)c1nc2cccc(F)c2nc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 2/20 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
SCHEMBL2024770 0.88 CYP1A2 (0.45) CYP1A2SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2026690 0.86 CYP1A2 (0.44) CYP1A2SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2413046 0.86 CYP1A2 (0.49) CYP1A2SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2409536 0.81 TSHR (0.42) CYP1A2KMT2ALMNAALDH1A1HPGD
SCHEMBL2025252 0.81 LMNA (0.57) CYP1A2SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2410267 0.80 KMT2A (0.49) CYP1A2SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL28345846 0.78 TSHR (0.50) CYP1A2SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL14734402 0.75 RAD52 (0.40) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL7590064 0.75 ALDH1A1 (0.43) CYP1A2SMN1; SMN2KMT2ALMNANPSR1
SCHEMBL5125503 0.74 TSHR (0.56) CYP1A2SMN1; SMN2KMT2AMEN1LMNA

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 4 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
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 CYP1A2 885/4885SMN1; SMN2 2888/4885KMT2A 1750/4885

“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.