SCHEMBL4400404

SCHEMBL4400404

c1ccc(CNc2nccc3[nH]cnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.55
CDK2 P24941 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
EGFR P00533 3/20 0.48
CDK1 P06493 5/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KDM4A O75164 1/20 0.45

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
SCHEMBL2059315 0.82 MAPT (0.54) CDK2MAPK1EGFRCDK1KDM4E
SCHEMBL9828697 0.80 DRD4 (0.56) CDK2LMNACYP1A2CYP2D6TSHR
SCHEMBL19064636 0.78 SMN1; SMN2 (0.55) LMNACYP1A2TSHRMAPK1CDK1
SCHEMBL29829331 0.78 SMN1; SMN2 (0.55) LMNACYP1A2TSHRMAPK1CDK1
SCHEMBL15960527 0.77 DPP4 (0.36) UTS2RTSHRDRD2DRD4DRD3
6-Benzylaminopurine SCHEMBL28824679 0.77 LMNA (0.62) CDK2LMNACYP1A2CYP2D6TSHR
6-Benzylaminopurine SCHEMBL37357 0.77 LMNA (0.62) CDK2LMNACYP1A2CYP2D6TSHR
6-Benzylaminopurine SCHEMBL29772173 0.77 LMNA (0.62) CDK2LMNACYP1A2CYP2D6TSHR
6-Benzylaminopurine SCHEMBL11477799 0.76 LMNA (0.61) CDK2LMNACYP1A2CYP2D6TSHR
6-Benzylaminopurine SCHEMBL218732 0.76 LMNA (0.61) CDK2LMNACYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020206363-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ,INC. (US) 2020-10-08 WO disclosed
US-20090306388-A1 METHOD FOR SUBSTITUTED IH-IMIDAZO[4,5-C] PYRIDINES PFIZER INC. 2009-12-10 US disclosed
EP-0038569-B1 DEAZAPURINE NUCLEOSIDES, FORMULATIONS AND PREPARATION THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-01-30 EP disclosed
US-4481197-A ANTIARTHRITIC, ANTIBODY INHIBITORS BURROUGHS WELLCOME CO. (US) 1984-11-06 US disclosed
EP-0038568-B1 SYNTHESIS OF DEAZAPURINE NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1983-07-20 EP disclosed
US-4381344-A Process for producing deoxyribosides using bacterial phosphorylase BURROUGHS WELLCOME CO. (US) 1983-04-26 US disclosed
US-4347315-A FORMING 4-SUBSTITUTED 1-B-D-RIBOFURANOSYL-1H-IMIDAZO(4,5-C)PYRIDINES FROM RIBOSE-1-PHOSPHATE BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
EP-0038568-A1 Synthesis of deazapurine nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-28 EP disclosed
EP-0038569-A2 Deazapurine nucleosides, formulations and preparation thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-28 EP 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-20090306388-A1 METHOD FOR SUBSTITUTED IH-IMIDAZO[4,5-C] PYRIDINES PAH, IDH3A, IPO4 UTS2R 1428/4885CDK2 1031/4885LMNA 693/4885

“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.