SCHEMBL5527149

SCHEMBL5527149

NC1(C(=O)Nc2ncc3ccccc3n2)CCCCC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.41
FDPS P14324 1/20 0.39
ROCK2 O75116 1/20 0.36
CCNA2 P20248 10/20 0.35
CDK2 P24941 10/20 0.35
CDK7 P50613 9/20 0.35
CCNH P51946 9/20 0.35
MNAT1 P51948 9/20 0.35
CCNK O75909 7/20 0.35
CDK12 Q9NYV4 7/20 0.35
MAP3K7 O43318 2/20 0.35
MAP3K6 O95382 2/20 0.35
OTUD7B Q6GQQ9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 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
SCHEMBL5534111 0.73 MAP3K5 (0.39) MAP3K5ROCK2CCNA2CDK2CDK7
SCHEMBL31143762 0.71 MAP3K5 (0.54) MAP3K5FDPSROCK2CCNA2CDK2
SCHEMBL8986816 0.71 MAP3K5 (0.54) MAP3K5FDPSROCK2CCNA2CDK2
SCHEMBL6307534 0.70 NPC1 (0.58) MAP3K5FDPSKDM4EALDH1A1
SCHEMBL31060745 0.70 NPC1 (0.58) MAP3K5FDPSKDM4EALDH1A1
SCHEMBL1483456 0.70 MAP3K5 (0.68) MAP3K5FDPSMAP3K7MAP3K6KDM4E
SCHEMBL28347289 0.67 MAP3K5 (0.50) MAP3K5FDPSCCNA2CDK2CDK7
SCHEMBL28219941 0.67 MAP3K5 (0.50) MAP3K5FDPSROCK2CCNA2CDK2
SCHEMBL28357831 0.66 CCNK (0.53) MAP3K5FDPSCCNA2CDK2CDK7
SCHEMBL6524322 0.66 CCNA2 (0.57) MAP3K5CCNA2CDK2CDK7CCNH

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAP3K5 1342/4885FDPS 4602/4885ROCK2 1013/4885

“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.