SCHEMBL6779647

SCHEMBL6779647

c1cnn(-c2ccc3cnncc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PDK2 Q15119 1/20 0.40
NLRP3 Q96P20 3/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
NPC1 O15118 1/20 0.39
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
DRD2 P14416 1/20 0.36

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
SCHEMBL3665773 0.81 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1HRH3
SCHEMBL28740983 0.77 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1HRH3
SCHEMBL4341894 0.76 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL15021574 0.75 NOTUM (0.46) NOTUMKDM4EALDH1A1MAPK1HRH3
SCHEMBL5934873 0.74 NOTUM (0.57) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL30007604 0.73 NOTUM (0.45) NOTUMKDM4EALDH1A1MAPK1HRH3
SCHEMBL3974447 0.73 HRH3 (0.53) NOTUMKDM4EALDH1A1MAPK1HRH3
SCHEMBL30046695 0.73 TNIK (0.59) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL19968133 0.73 ERCC1 (0.51) NOTUMKDM4EALDH1A1MAPK1HRH3
SCHEMBL29701202 0.73 NOTUM (0.52) NOTUMKDM4EALDH1A1MAPK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NOTUM 2754/4885KDM4E 1371/4885ALDH1A1 410/4885

“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.