SCHEMBL3676863

SCHEMBL3676863

Nc1nc(-c2ccc3c(c2)CC(=O)N3)c(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.51
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ AHR P35869 1/20 0.49
▸ GRIA1 P42261 7/20 0.48
▸ CACNG8 Q8WXS5 3/20 0.48
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL18122060 0.89 MAPT (0.60) PGRPDE3BPDE3AMAPTALDH1A1
Hydrochloric Acid SCHEMBL18114121 0.88 MAPT (0.59) PGRPDE3BPDE3AMAPTALDH1A1
SCHEMBL10661877 0.85 GRIA1 (0.54) PGRPDE3BPDE3AAHRGRIA1
Hydrochloric Acid SCHEMBL10662967 0.84 GRIA1 (0.53) PGRPDE3BPDE3AAHRGRIA1
Bromide SCHEMBL7314028 0.84 GRIA1 (0.53) PGRPDE3BPDE3AAHRGRIA1
SCHEMBL10665330 0.79 GRIA1 (0.48) PGRPDE3BPDE3AGRIA1CACNG8
SCHEMBL10659225 0.75 MAPT (0.78) PGRPDE3BPDE3AAHRGRIA1
SCHEMBL14466576 0.74 PDE3B (0.54) PGRPDE3BPDE3AAHRGRIA1
SCHEMBL10664070 0.73 MAPT (0.60) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL10711906 0.73 PDE3B (0.68) PGRPDE3BPDE3AAHRGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 — — US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 — — EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 — — US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 — — 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 PGR 2961/4885PDE3B 529/4885PDE3A 348/4885

“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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