SCHEMBL7074096

SCHEMBL7074096

N#CC(=Cc1cccc2ccccc12)c1n[nH]c(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 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
SCHEMBL7074094 1.00 PIP4K2A (0.43) PIP4K2AALDH1A1NR1I2AHRMAPT
SCHEMBL7071012 0.77 CYP2A6 (0.40) ALDH1A1NR1I2AHRMAPTMAPK1
SCHEMBL7071008 0.77 CYP2A6 (0.40) ALDH1A1NR1I2AHRMAPTMAPK1
SCHEMBL7073978 0.73 MAPT (0.44) ALDH1A1NR1I2AHRMAPTALOX15
SCHEMBL7067471 0.73 NPC1 (0.48) ALDH1A1NR1I2AHRMAPTPKM
SCHEMBL7073980 0.73 MAPT (0.44) ALDH1A1NR1I2AHRMAPTALOX15
SCHEMBL7067474 0.73 NPC1 (0.48) ALDH1A1NR1I2AHRMAPTPKM
SCHEMBL18301103 0.71 PIP4K2A (0.67) PIP4K2AALDH1A1AHRMAPTCDK5
SCHEMBL18301104 0.71 PIP4K2A (0.67) PIP4K2AALDH1A1AHRMAPTCDK5
SCHEMBL7066943 0.71 MAPT (0.39) ALDH1A1NR1I2AHRMAPTPIM1

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 PIP4K2A 784/4885ALDH1A1 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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