SCHEMBL5254285

SCHEMBL5254285

N#Cc1cnc2nc3ccccc3cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE4B Q07343 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
SCHEMBL5256575 0.82 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL4991156 0.80 MAP2K1 (0.43) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1344423 0.76 LRRK2 (0.54) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL670495 0.71 KDM4E (0.59) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL6071693 0.71 ALDH1A1 (0.62) ALDH1A1GAAKDM4EHPGDSTAT3
SCHEMBL18952961 0.71 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL7806621 0.69 ALDH1A1 (0.56) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL29365630 0.69 ALDH1A1 (0.56) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL5308934 0.69 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL23513496 0.68 EGFR (0.44) ALDH1A1KDM4ESMN1; SMN2LRRK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 — — EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 — — US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 — — US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 — — US disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 — — EP disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 — — US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 — — 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 (3 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 ALDH1A1 3285/4885GAA 2692/4885KDM4E 1644/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 ALDH1A1 3511/4885GAA 2649/4885KDM4E 1432/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 ALDH1A1 4120/4885GAA 2419/4885KDM4E 1527/4885

“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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