SCHEMBL2945973

SCHEMBL2945973

Cc1ccc([N+](=O)[O-])cc1-c1ccc2c(N3CCOCC3)nncc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.61
KIT P10721 4/20 0.61
KDR P35968 3/20 0.61
MAPK9 P45984 2/20 0.61
LCK P06239 1/20 0.61
MAPT P10636 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
ACHE P22303 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2955388 0.83 MAPK14 (0.62) MAPK14KITKDRMAPK9LCK
SCHEMBL2956663 0.82 MAPK14 (0.61) MAPK14KITKDRMAPK9LCK
SCHEMBL2945892 0.81 MAPK14 (0.78) MAPK14KITKDRMAPK9LCK
SCHEMBL2952099 0.80 MAPK14 (0.74) MAPK14KITKDRMAPK9LCK
SCHEMBL2948699 0.79 MAPK14 (0.59) MAPK14KITKDRMAPK9LCK
SCHEMBL2954539 0.79 MAPK14 (0.72) MAPK14KITKDRMAPK9LCK
SCHEMBL2944127 0.79 MAPK14 (0.80) MAPK14KITKDRMAPK9LCK
SCHEMBL2951994 0.79 MAPK14 (0.69) MAPK14KITKDRMAPK9LCK
SCHEMBL2945921 0.78 MAPK14 (0.71) MAPK14KITKDRMAPK9LCK
SCHEMBL2953306 0.78 MAPK14 (0.58) MAPK14KITKDRMAPK9LCK

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 7 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 claimed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP claimed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO claimed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 US claimed
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
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 MAPK14 293/4885KIT 1977/4885KDR 683/4885

“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.