SCHEMBL3454890

SCHEMBL3454890

Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.65
AVPR1A P37288 4/20 0.65
BRD4 O60885 1/20 0.61
ATAD2 Q6PL18 1/20 0.61
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RAB9A P51151 1/20 0.55
OXTR P30559 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3454628 0.92 HPGD (0.68) AVPR2AVPR1ABRD4ATAD2ALDH1A1
SCHEMBL28771923 0.89 RAB9A (0.65) AVPR2AVPR1AALDH1A1HPGDMEN1
SCHEMBL396271 0.84 BRD4 (0.69) AVPR2AVPR1ABRD4ATAD2ALDH1A1
SCHEMBL6965406 0.83 AVPR2 (0.92) AVPR2AVPR1AALDH1A1HPGDMEN1
SCHEMBL7353839 0.82 MEN1 (0.72) AVPR2AVPR1AALDH1A1HPGDMEN1
SCHEMBL29463754 0.82 ALDH1A1 (0.81) AVPR2AVPR1AALDH1A1HPGDMEN1
SCHEMBL6198498 0.82 ALDH1A1 (0.81) AVPR2AVPR1AALDH1A1HPGDMEN1
SCHEMBL21226576 0.80 HDAC6 (0.61) AVPR2AVPR1AALDH1A1MEN1KMT2A
SCHEMBL15712623 0.80 HPGD (0.68) AVPR2AVPR1AALDH1A1HPGDMEN1
SCHEMBL3585586 0.80 BRD4 (0.68) AVPR2AVPR1ABRD4ATAD2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AVPR2 4726/4885AVPR1A 4659/4885BRD4 610/4885

“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.