SCHEMBL2946003

SCHEMBL2946003

Brc1ccc2c(N3CCOCC3)nncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.49
LCK P06239 1/20 0.46
KIT P10721 1/20 0.46
KDR P35968 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2947965 0.85 HPGD (0.46) MAPTHPGDNPC1RAB9ALMNA
SCHEMBL2954643 0.83 HRH4 (0.54) MAPTLMNAKMT2AKDM4EPOLB
SCHEMBL2954373 0.83 MAPK14 (0.49) MAPK14LCKKITKDRMAPK9
SCHEMBL2954962 0.83 HTT (0.50) LMNAKMT2AHTT
SCHEMBL22440005 0.80 LMNA (0.63) MAPK14MAPTHPGDLMNAKMT2A
SCHEMBL2953248 0.78 MAPK14 (0.59) MAPK14KITKDRMAPK9
SCHEMBL2953253 0.78 MAPK14 (0.59) MAPK14KITKDRMAPK9
SCHEMBL2945823 0.78 ABL1 (0.47) MAPTHPGDNPC1RAB9ALMNA
SCHEMBL2953198 0.77 ALDH1A1 (0.43) MAPK14MAPTHPGDNPC1RAB9A
SCHEMBL600573 0.77 LMNA (0.53) MAPK14LCKKITKDRMAPK9

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
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
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO 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 293/4885LCK 442/4885KIT 1977/4885

“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.