SCHEMBL7071012

SCHEMBL7071012

N#CC(=Cc1cc2ccccc2o1)c1n[nH]c(N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.40
▸ DDX3X O00571 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ MAPT P10636 10/20 0.34
▸ HPGD P15428 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ CDK5 Q00535 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
SCHEMBL7071008 1.00 CYP2A6 (0.40) CYP2A6DDX3XALDH1A1NR1I2AHR
SCHEMBL7073980 0.79 MAPT (0.44) DDX3XALDH1A1NR1I2AHRMAPT
SCHEMBL7073978 0.79 MAPT (0.44) DDX3XALDH1A1NR1I2AHRMAPT
SCHEMBL7074094 0.77 PIP4K2A (0.43) ALDH1A1NR1I2AHRMAPTHPGD
SCHEMBL15756546 0.74 RAB9A (0.57) DDX3XALDH1A1MAPTHPGDLMNA
SCHEMBL7066942 0.71 MAPT (0.39) ALDH1A1NR1I2AHRMAPTHPGD
SCHEMBL7067474 0.71 NPC1 (0.48) ALDH1A1NR1I2AHRMAPTHPGD
SCHEMBL7066943 0.71 MAPT (0.39) ALDH1A1NR1I2AHRMAPTHPGD
SCHEMBL7067471 0.71 NPC1 (0.48) ALDH1A1NR1I2AHRMAPTHPGD
SCHEMBL17576043 0.66 CYP2A6 (0.51) CYP2A6ALDH1A1MAPTHPGDLMNA

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
US-20030134862-A1 Compounds BIOVITRUM AB (SE) 2003-07-17 — — US disclosed
WO-2003053976-A1 PIPAZOLO [1,5-a] PYRIMIDINE DERIVATIVES AS MODULATORS OF PPAR BIOVITRUM AB (SE) 2003-07-03 — — 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-20030134862-A1 Compounds PPARG, PPARA, PPARD CYP2A6 397/4885DDX3X 1754/4885ALDH1A1 946/4885

“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.

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