SCHEMBL6450574

SCHEMBL6450574

N#Cc1cc(-c2ccc(F)cc2)n(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.67
NR3C2 P08235 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PTGS1 P23219 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RPA1 P27694 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43

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
Sulfamide SCHEMBL7144379 0.92 PTGS2 (0.76) PTGS2NR3C2MEN1KMT2APTGS1
Sulfamate SCHEMBL6449873 0.90 PTGS2 (0.73) PTGS2NR3C2MEN1KMT2APTGS1
SCHEMBL9210967 0.87 PTGS2 (0.69) PTGS2NR3C2MEN1KMT2APTGS1
SCHEMBL9207646 0.83 PTGS2 (0.65) PTGS2NR3C2PTGS1TSHRNPSR1
SCHEMBL9201792 0.82 PTGS2 (0.63) PTGS2NR3C2MEN1KMT2APTGS1
SCHEMBL9209095 0.82 PTGS2 (0.63) PTGS2NR3C2MEN1KMT2APTGS1
Hydrochloric Acid SCHEMBL9208571 0.81 PTGS2 (0.62) PTGS2NR3C2MEN1KMT2APTGS1
SCHEMBL215235 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9203156 0.80 PTGS2 (0.78) PTGS2NR3C2PTGS1
SCHEMBL9207656 0.80 PTGS2 (0.64) PTGS2NR3C2MEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-06-16 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-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PDE2A, PDE3B, PDE3A PTGS2 8/4885NR3C2 2093/4885MEN1 4070/4885

“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.