SCHEMBL13870758

SCHEMBL13870758

CNC(=O)NCCc1cc(N)n(C2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ PDE7A Q13946 14/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL13870770 0.99 PKM (0.42) PKMPDE7AKDM4EALDH1A1POLB
SCHEMBL13870773 0.88 PDE7A (0.38) PKMPDE7A
SCHEMBL13870772 0.82 DRD4 (0.44) POLBKMT2A
SCHEMBL13870744 0.78 SMN1; SMN2 (0.39) POLBKMT2A
SCHEMBL13870748 0.77 MTNR1A (0.39) KDM4EALDH1A1POLBHPGDKMT2A
SCHEMBL13870756 0.74 MTNR1A (0.35) KDM4EALDH1A1POLBHPGDKMT2A
SCHEMBL13870753 0.74 MTNR1A (0.35) ALDH1A1POLBKMT2A
SCHEMBL13870757 0.74 MTNR1A (0.38) KDM4EALDH1A1POLBHPGDKMT2A
SCHEMBL13870766 0.74 MTNR1A (0.35) ALDH1A1POLBKMT2A
SCHEMBL13870759 0.73 MTNR1A (0.37) KMT2A

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-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 — — US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US 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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB PKM 660/4885PDE7A 1708/4885KDM4E 4640/4885

“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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