SCHEMBL2908596

SCHEMBL2908596

COc1ccc(NCc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
CYP3A4 P08684 3/20 0.68
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 3/20 0.68
LTA4H P09960 1/20 0.66
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
GAA P10253 2/20 0.60
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
RAB9A P51151 2/20 0.56
CD274 Q9NZQ7 1/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
PABPC1 P11940 1/20 0.56
NAMPT P43490 1/20 0.56
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL25638621 0.92 THRB (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL26102078 0.90 CYP3A4 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL6727553 0.85 LTA4H (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL23873637 0.85 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL19198550 0.84 RAB9A (0.69) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL19312422 0.84 LTA4H (0.60) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL6833672 0.83 LTA4H (0.73) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL1043015 0.83 ALDH1A1 (0.73) ALDH1A1CRHBPCRHR2GAACYP1A2
SCHEMBL171745 0.82 ALDH1A1 (1.00) ALDH1A1LTA4HGAACYP1A2CYP2D6
SCHEMBL13766317 0.81 ALDH1A1 (0.73) ALDH1A1CYP3A4CYP2C9CYP2C19LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B ALDH1A1 300/4885CYP3A4 104/4885CYP2C9 468/4885

“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.