SCHEMBL6400929

SCHEMBL6400929

CN(C)CCn1cccc1C(=N)NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
HTR2A P28223 4/20 0.41
HTR6 P50406 5/20 0.34
KDM1A O60341 1/20 0.34
HTR1D P28221 2/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
CACNA1F O60840 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
PRNP P04156 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 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
SCHEMBL6400932 0.75 ALDH1A1 (0.45) HTR2CHTR2AHTR6KDM1AHTR1D
SCHEMBL6326009 0.72 RAB9A (0.46) MAPTALDH1A1HDAC6SMN1; SMN2CYP1A2
SCHEMBL12263459 0.66 HTR2C (0.44) HTR2CHTR2AHTR6KDM1AHTR1D
SCHEMBL12264183 0.64 HTR2C (0.45) HTR2CHTR2AHTR6KDM1AHTR1D
SCHEMBL6332741 0.64 HTR2C (0.45) HTR2CHTR2AHTR6KDM1AHTR1D
SCHEMBL31186048 0.63 ALDH1A1 (0.54) LMNAMAPTALDH1A1KDM4ECNR1
SCHEMBL17341811 0.62 HTR2A (0.51) HTR2CHTR2AHTR6KDM1AHTR1D
SCHEMBL20945324 0.62 HTR2C (0.44) HTR2CHTR2AHTR6KDM1AHTR1D
Hydrochloric Acid SCHEMBL30148713 0.61 HTR2C (0.50) HTR2CHTR2AHTR6KDM1AHTR1D
Lithium Ion SCHEMBL31185989 0.61 ALDH1A1 (0.41) HTR2CHTR2AALDH1A1KDM4ECNR1

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
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 HTR2C 1009/4885HTR2A 624/4885HTR6 1210/4885

“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.