SCHEMBL2459043

SCHEMBL2459043

CN(C)c1nncc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA1 P14867 1/20 0.40
PTGES O14684 2/20 0.34
NCEH1 Q6PIU2 3/20 0.34
PLAU P00749 1/20 0.33
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
CSNK2A1 P68400 1/20 0.33
APP P05067 2/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL25839679 0.77 CASP3 (0.37) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2459869 0.76 CYP2A6 (0.38) KDM4EALDH1A1CYP2A6POLB
SCHEMBL27658860 0.74 LMNA (0.47) KDM4EALDH1A1LMNAPKMHPGD
SCHEMBL31536308 0.74 PLAU (0.47) PTGESNCEH1PLAUCSNK2A1KDM4E
SCHEMBL22582727 0.74 NPC1 (0.36) KDM4EALDH1A1LMNAPKMCYP2A6
SCHEMBL31572189 0.74 NPC1 (0.36) KDM4EALDH1A1LMNAPKMCYP2A6
SCHEMBL4999569 0.73 SOS1 (0.41) NCEH1ERN1LMNAPOLB
SCHEMBL2858453 0.73 C1S (0.48) PLAUKDM4EALDH1A1ADORA2AADORA1
SCHEMBL396021 0.73 PLAU (0.39) PLAUNOS1METAP2CSNK2A1ERN1
SCHEMBL396312 0.73 NOS1 (0.36) PTGESNCEH1PLAUNOS1METAP2

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 GABRG2 2912/4885GABRB3 2933/4885GABRA5 1928/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 GABRG2 2912/4885GABRB3 2933/4885GABRA5 1928/4885

“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.