SCHEMBL9891389

SCHEMBL9891389

Cc1ncnc(C)c1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ADK P55263 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
DRD1 P21728 2/20 0.37
IDO1 P14902 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL19479287 0.80 KMT2A (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AADK
SCHEMBL17003300 0.78 ALDH1A1 (0.40) IKBKBCHUKALDH1A1SMN1; SMN2NPC1
SCHEMBL15667459 0.76 SENP1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1001064 0.74 ALOX15 (0.40) IKBKBCHUKHTTALDH1A1SMN1; SMN2
SCHEMBL999683 0.74 MAPT (0.50) IKBKBCHUKHTTALDH1A1SMN1; SMN2
SCHEMBL18929902 0.74 EDNRB (0.39) IKBKBCHUKHTTALDH1A1SMN1; SMN2
SCHEMBL13454731 0.74 ALDH1A1 (0.50) IKBKBCHUKHTTALDH1A1SMN1; SMN2
SCHEMBL26818554 0.73 ADK (0.44) SMN1; SMN2NPC1RAB9AADKMAPT
SCHEMBL15696254 0.73 PTGS2 (0.50) SMN1; SMN2NPC1RAB9AMAPTKDR
SCHEMBL517237 0.73 CYP2A6 (0.61) IKBKBCHUKALDH1A1MAPK1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938244-B2 Process for manufacturing pyrimidine sulfamide derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-10 US disclosed
US-20160368882-A1 PROCESS FOR MANUFACTURING PYRIMIDINE SULFAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-12-22 US disclosed
US-8324232-B2 4-pyrimidinesulfamide derivative ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-04 US disclosed
US-20120142716-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE IDORSIA PHARMACEUTICALS LTD (CH) 2012-06-07 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-20160368882-A1 PROCESS FOR MANUFACTURING PYRIMIDINE SULFAMIDE DERIVATIVES HAT1, SF1, SF3B5 IKBKB 1622/4885CHUK 825/4885HTT 2192/4885
US-20120142716-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE EDNRB, EDNRA, TBXA2R IKBKB 1434/4885CHUK 266/4885HTT 3525/4885

“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.