SCHEMBL2456498

SCHEMBL2456498

CNCc1cccc(Oc2cncc(C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 3/20 0.43
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS1 P29475 6/20 0.42
NOS3 P29474 3/20 0.42
IGF1R P08069 3/20 0.41
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18617334 0.85 JAK2 (0.44) CYP1A2MAPTCYP2C9CYP2C19IGF1R
SCHEMBL18586073 0.83 F10 (0.44) CYP1A2MAPTCYP2C9CYP2C19IGF1R
SCHEMBL20672043 0.81 IGF1R (0.36) CYP1A2MAPTCYP2C9CYP2C19IGF1R
SCHEMBL25588033 0.80 PRMT6 (0.50) PRMT6EPHX2MAPTNOS1NOS3
SCHEMBL19206087 0.77 TRPV6 (0.50) PRMT6KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL16551691 0.76 IGF1R (0.40) CYP1A2MAPTCYP2C9CYP2C19IGF1R
SCHEMBL17623908 0.76 BRAF (0.54) IGF1RKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL2463239 0.76 IGF1R (0.40) CYP1A2MAPTCYP2C9CYP2C19IGF1R
SCHEMBL3247173 0.75 ACHE (0.36) NOS1IGF1RNOS2
SCHEMBL22910536 0.74 LMNA (0.62) PRMT6EPHX2KDM4EALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO 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 (2 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 PRMT6 1823/4885EPHX2 2945/4885CYP1A2 3835/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 PRMT6 1823/4885EPHX2 2945/4885CYP1A2 3835/4885

“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.