SCHEMBL6474398

SCHEMBL6474398

O=C1N=NC(Cc2ccncc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.44
KCNQ2 O43526 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK10 P53779 1/20 0.37
MDM2 Q00987 1/20 0.34
ROCK2 O75116 1/20 0.33

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
SCHEMBL4213119 0.89 MAOB (0.39) MAPT
SCHEMBL7894528 0.84 CES2 (0.39) GAANPC1MAPTMDM2
SCHEMBL11415071 0.80 TUBB4A (0.42) TSHRSMN1; SMN2NPC1TP53MAPT
SCHEMBL3649102 0.79 EDNRB (0.32) GAASMN1; SMN2MAPT
SCHEMBL8559782 0.76 TDO2 (0.38) CYP1A2CYP3A4CYP2C9TSHRLMNA
SCHEMBL11416663 0.76 MEN1 (0.36) ALOX15SMN1; SMN2MAPT
SCHEMBL21533082 0.76 MEN1 (0.36) CYP1A2ALOX15TSHRLMNA
SCHEMBL463373 0.72 APEX1 (0.39) CYP1A2TSHRMAPT
SCHEMBL11412655 0.72 METAP1 (0.40)
SCHEMBL8780449 0.71 BCHE (0.38) CYP1A2CYP3A4CYP2C9LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891041-B2 Method for producing 4-(heteroaryl-methyl)-halogen-1(2H)-phthalazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-05-10 US disclosed
US-20040192695-A1 Method for producing 4-(heteroaryl-methyl)-halogen-1(2h)-phthalazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-30 US disclosed
EP-1242405-B1 METHOD FOR PRODUCING 4-(HETEROARYL-METHYL)-1(2H)-PHTHALAZINONES SCHERING AG (DE) 2004-08-18 EP disclosed
EP-1242405-A1 METHOD FOR PRODUCING 4-(HETEROARYL-METHYL)-HALOGEN-1(2H)-PHTHALAZINONES Schering Aktiengesellschaft (DE) 2002-09-25 EP disclosed
WO-2001047912-A1 METHOD FOR PRODUCING 4-(HETEROARYL-METHYL)-HALOGEN-1(2H)-PHTHALAZINONES SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-05 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 (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-20040192695-A1 Method for producing 4-(heteroaryl-methyl)-halogen-1(2h)-phthalazinones CYP4Z1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP19A1 1935/4885KCNQ2 1993/4885CYP1A2 841/4885

“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.