SCHEMBL2465608

SCHEMBL2465608

FC(F)(F)c1ccc[c]c1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
AKR1C3 P42330 1/20 0.43
PRKDC P78527 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
USP2 O75604 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.37
NOTUM Q6P988 3/20 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
SCHEMBL3543532 0.78 ALDH1A1 (0.44) CNR2PRKDCCYP1A2ALOX15TSHR
SCHEMBL3541165 0.76 CNR2 (0.45) CNR2AKR1C3CYP1A2LMNAALDH1A1
SCHEMBL3543964 0.75 LMNA (0.41) CNR2AKR1C3PRKDCCYP1A2CYP3A4
SCHEMBL28757513 0.75 LMNA (0.41) PRKDCCYP1A2LMNAALDH1A1HSD17B10
SCHEMBL3545303 0.75 LMNA (0.41) CYP1A2ALOX15TSHRUSP2LMNA
SCHEMBL4287156 0.74 ALDH1A1 (0.44) CNR2AKR1C3ALOX15LMNAALDH1A1
SCHEMBL4282318 0.74 CYP2A13 (0.42) CYP1A2CYP3A4ALOX15CYP2C19CYP2D6
SCHEMBL31096358 0.73 AKR1C3 (0.70) CNR2AKR1C3PRKDCCYP1A2CYP3A4
SCHEMBL20752166 0.73 AKR1C3 (0.70) CNR2AKR1C3PRKDCCYP1A2CYP3A4
SCHEMBL4278167 0.72 AKR1C3 (0.50) CNR2AKR1C3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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 (3 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 CNR2 3569/4885AKR1C3 3547/4885PRKDC 92/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 CNR2 3569/4885AKR1C3 3547/4885PRKDC 92/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 CNR2 69/4885AKR1C3 2273/4885PRKDC 648/4885

“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.