SCHEMBL3037599

SCHEMBL3037599

NC(=O)c1cccc(-c2ccc3cnncc3c2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
SCN9A Q15858 5/20 0.46
BACE1 P56817 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
CAMKK2 Q96RR4 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PDK2 Q15119 1/20 0.40
AR P10275 1/20 0.40
HSP90AA1 P07900 2/20 0.39
MAPK10 P53779 2/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAPK8 P45983 1/20 0.38

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
SCHEMBL3037606 0.91 PARP1 (0.47) PARP1SCN9ABACE1SCN10ATRPA1
SCHEMBL3035393 0.83 PARP1 (0.48) PARP1KEAP1NFE2L2ALOX5APFEN1
SCHEMBL3035398 0.81 BCAT2 (0.50) PARP1KEAP1NFE2L2
SCHEMBL4232113 0.80 BCAT2 (0.54) PARP1ALOX5APFEN1
SCHEMBL3040072 0.80 AR (0.47) PARP1KEAP1NFE2L2AR
SCHEMBL3037607 0.78 KDM4E (0.40) PARP1SCN9AARMAPK10
SCHEMBL3266930 0.76 HSP90AA1 (0.45) HSP90AA1
SCHEMBL4776516 0.73 PARP1 (0.52) PARP1SCN9ASCN10AKEAP1NFE2L2
SCHEMBL6173681 0.73 PARP1 (0.52) PARP1SCN9ASCN10AKEAP1NFE2L2
SCHEMBL3040077 0.73 AR (0.44) PARP1KEAP1NFE2L2ARALOX5AP

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-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 PARP1 1755/4885SCN9A 4568/4885BACE1 2304/4885

“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.