SCHEMBL6774142

SCHEMBL6774142

COC(=O)c1ccc(-n2cccn2)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.46
KAT6A Q92794 3/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
NOTUM Q6P988 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
LRRK2 Q5S007 1/20 0.42
TP53 P04637 1/20 0.41
MYC P01106 1/20 0.41
HDAC4 P56524 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL20556372 0.89 MAPT (0.52) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL17201019 0.87 KAT6A (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL12018299 0.87 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL23292639 0.87 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL3364708 0.87 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL3369502 0.87 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL18094315 0.87 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL10088436 0.84 NOTUM (0.46) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL3366196 0.83 SIRT6 (0.57) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL12121586 0.81 MAPT (0.43) MAPTRXFP1LMNAKDM4EALDH1A1

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
CN-1210265-C Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2005-07-13 CN disclosed
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
CN-1275124-A Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2000-11-29 CN 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 MAPT 2467/4885RXFP1 169/4885KAT6A 1748/4885

“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.