SCHEMBL7066942

SCHEMBL7066942

N#C/C(=C\c1ccoc1)c1n[nH]c(N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ BLK P51451 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
SCHEMBL7066943 1.00 MAPT (0.39) MAPTALDH1A1NR1I2AHRAURKA
SCHEMBL7073980 0.78 MAPT (0.44) MAPTALDH1A1NR1I2AHRHPGD
SCHEMBL7073978 0.78 MAPT (0.44) MAPTALDH1A1NR1I2AHRHPGD
SCHEMBL7067471 0.72 NPC1 (0.48) MAPTALDH1A1NR1I2AHRKDR
SCHEMBL7067474 0.72 NPC1 (0.48) MAPTALDH1A1NR1I2AHRKDR
SCHEMBL7071012 0.71 CYP2A6 (0.40) MAPTALDH1A1NR1I2AHRCDK5
SCHEMBL7071008 0.71 CYP2A6 (0.40) MAPTALDH1A1NR1I2AHRCDK5
SCHEMBL7074094 0.71 PIP4K2A (0.43) MAPTALDH1A1NR1I2AHRPIM1
SCHEMBL2131974 0.70 MEN1 (0.72) MAPTALDH1A1AURKADAPK3LCK
SCHEMBL2131978 0.70 MEN1 (0.72) MAPTALDH1A1AURKADAPK3LCK

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 MAPT 4576/4885ALDH1A1 946/4885NR1I2 73/4885

“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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