SCHEMBL986413

SCHEMBL986413

O=C(O)N1CCC(c2ncc(Br)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.38
DCUN1D1 Q96GG9 7/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MLYCD O95822 4/20 0.37
FPR2 P25090 3/20 0.35
FPR3 P25089 2/20 0.35
CHRM4 P08173 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL983152 0.80 GPR119 (0.48) NPSR1HSD17B10MAPT
SCHEMBL20789296 0.80 GPR119 (0.42)
SCHEMBL21381142 0.79 HRH3 (0.38) UBE2MDCUN1D1LMNATP53POLB
SCHEMBL19975384 0.78 MLYCD (0.38) UBE2MDCUN1D1LMNATP53POLB
SCHEMBL12810893 0.78 CCR5 (0.36) LMNATP53POLBMLYCDCHRM4
SCHEMBL17203791 0.78
SCHEMBL12539166 0.78 TDP1 (0.35) MLYCDGAA
SCHEMBL20789238 0.77 FPR3 (0.38) MLYCDFPR2FPR3
SCHEMBL20789235 0.77 FPR3 (0.38) MLYCDFPR2FPR3
SCHEMBL28781197 0.75 MLYCD (0.33) UBE2MDCUN1D1LMNATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681884-A1 RAD51 INHIBITORS Cyteir Therapeutics, Inc. (US) 2020-07-22 EP disclosed
WO-2019051465-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. (US) 2019-03-14 WO disclosed
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2205589-A2 C-MET PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-07-14 EP disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 WO disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 UBE2M 3975/4885DCUN1D1 1728/4885LMNA 3592/4885
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 UBE2M 3364/4885DCUN1D1 1816/4885LMNA 3472/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 UBE2M 3364/4885DCUN1D1 1816/4885LMNA 3472/4885

“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.