SCHEMBL2616889

SCHEMBL2616889

S=C1NCCc2cc(Br)ccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.64
PARP11 Q9NR21 3/20 0.64
PARP1 P09874 1/20 0.50
PNMT P11086 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
SRD5A1 P18405 2/20 0.41
SRD5A2 P31213 1/20 0.41
CYP19A1 P11511 6/20 0.41
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
TDP2 O95551 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
S100A4 P26447 1/20 0.36
TYMS P04818 1/20 0.36
METAP1 P53582 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL2616885 0.85 PARP10 (0.64) PARP10PARP11PARP1PNMTASIC3
SCHEMBL13512608 0.78 PARP10 (0.64) PARP10PARP11PARP1PNMTASIC3
SCHEMBL18281237 0.78 PARP10 (0.50) PARP10PARP11PARP1PNMTSRD5A1
SCHEMBL1002712 0.78 PARP10 (1.00) PARP10PARP11PARP1TDP2
Hydrochloric Acid SCHEMBL31432826 0.75 DRD2 (0.57) PARP10PARP11PARP1PNMTASIC3
SCHEMBL24699354 0.73 PARP10 (0.76) PARP10PARP11PARP1PNMTASIC3
SCHEMBL204100 0.73 SRD5A1 (0.64) PARP10PARP11PARP1PNMTASIC3
SCHEMBL31268305 0.73 SRD5A1 (0.64) PARP10PARP11PARP1PNMTASIC3
SCHEMBL88901 0.72 PARP1 (0.59) PARP10PARP11PARP1PNMTHTR2C
SCHEMBL10815 0.72 DRD2 (0.59) PARP10PARP11PARP1PNMTASIC3

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-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK PARP10 1423/4885PARP11 1472/4885PARP1 1660/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 PARP10 273/4885PARP11 216/4885PARP1 187/4885

“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.