SCHEMBL6288971

SCHEMBL6288971

COCCOc1nn(C)c(N)c1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.36
MAPK14 Q16539 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
PIK3CA P42336 1/20 0.33
DHPS P49366 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
SRC P12931 2/20 0.32
TP53 P04637 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL6292692 0.86 MAPT (0.39) MAPTTSHRMAPK14POLBALDH1A1
SCHEMBL6289615 0.85 MAPT (0.48) MAPTPOLBNPC1RAB9ATP53
SCHEMBL6288927 0.83 MAPK14 (0.45) MAPTTSHRMAPK14TDP1NPC1
SCHEMBL6292817 0.83 LMNA (0.37) MAPTTSHRMAPK14ALDH1A1KDM4E
SCHEMBL6361331 0.81 FABP4 (0.43) MAPTTSHRALDH1A1
SCHEMBL13860530 0.71 MAPT (0.57) MAPTTSHRPOLBALDH1A1KDM4E
SCHEMBL7209674 0.70 TSHR (0.37) MAPTTSHRPOLBTDP1ALOX15
SCHEMBL6289612 0.69 MAPT (0.50) MAPTTSHRMAPK14POLBALDH1A1
SCHEMBL13974933 0.68 MAPT (0.62) MAPTMAPK14POLBTDP1ALDH1A1
SCHEMBL6288875 0.66 KMT2A (0.45) MAPTALDH1A1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 MAPT 4430/4885TSHR 645/4885MAPK14 1816/4885

“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.