SCHEMBL2955593

SCHEMBL2955593

COc1ccccc1-c1nncc2cc(Oc3ccc(C)cc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.48
MAPK14 Q16539 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.37
GAA P10253 2/20 0.36
SOS1 Q07889 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2956155 0.86 MAPK14 (0.55) SCN9AMAPK14ALDH1A1SMN1; SMN2HPGD
SCHEMBL2953847 0.84 MAPK14 (0.42) SCN9AMAPK14ALDH1A1SMN1; SMN2HPGD
SCHEMBL2951418 0.80 MAPK14 (0.68) SCN9AMAPK14CYP3A4
SCHEMBL2955682 0.75 MAPK14 (0.54) SCN9AMAPK14
SCHEMBL2949613 0.75 MAPK14 (0.46) SCN9AMAPK14CYP1A2CYP3A4CYP2C9
SCHEMBL2953194 0.75 MAPK14 (0.50) SCN9AMAPK14ALDH1A1MAPT
SCHEMBL6614811 0.75 C1S (0.45) SCN9AMAPK14ALDH1A1SMN1; SMN2HPGD
SCHEMBL31091179 0.75 NPC1 (0.43) SCN9AALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL2948417 0.73 MAPK14 (0.47) SCN9AMAPK14ALDH1A1SMN1; SMN2MEN1
SCHEMBL2948274 0.73 MAPK14 (0.54) SCN9AMAPK14

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 5 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
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 SCN9A 4568/4885MAPK14 293/4885ALDH1A1 1599/4885

“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.