SCHEMBL12842019

SCHEMBL12842019

CCc1ncc(CN2CCNCC2)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.42
▸ PARP1 P09874 4/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ CHRM3 P20309 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ CXCR4 P61073 3/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ USP2 O75604 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
SCHEMBL12841852 0.88 CHKA (0.41) KDRPARP1NSD2HDAC1
SCHEMBL12841776 0.88 CHKA (0.44) KDRPARP1NSD2HDAC1
SCHEMBL12842022 0.86 HDAC1 (0.46) PARP1SRCHDAC1
SCHEMBL12841655 0.82 HDAC1 (0.48) PARP1HDAC1
SCHEMBL12842020 0.82 ALDH1A1 (0.42) PARP1SRCHDAC1
SCHEMBL12841664 0.81 KDM4E (0.43) PARP1HDAC1
SCHEMBL12841858 0.81 PARP1 (0.40) PARP1HDAC1
SCHEMBL12772354 0.81 KDR (0.43) KDRPARP1NSD2CHRM3SIGMAR1
SCHEMBL12841893 0.80 MEN1 (0.51) KDRPARP1HDAC1
SCHEMBL12842053 0.80 KDM4E (0.41) KDRPARP1SRCHDAC1

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-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 — — US disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 — — 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-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 KDR 3252/4885PARP1 161/4885NSD2 170/4885

“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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