SCHEMBL17639934

SCHEMBL17639934

Nc1cc(Cl)nc(NCC2CCC(CCCCCCCC3CCCCC3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
SIGMAR1 Q99720 3/20 0.36
PTGS2 P35354 1/20 0.36
APP P05067 1/20 0.36
VCP P55072 3/20 0.35
CCNT1 O60563 2/20 0.35
TPH1 P17752 1/20 0.35
CEL P19835 1/20 0.34
CDK2 P24941 1/20 0.34
IDH1 O75874 3/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
IDH2 P48735 1/20 0.33

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
SCHEMBL17639929 1.00 HRH4 (0.44) HRH4SIGMAR1PTGS2APPVCP
SCHEMBL9885050 0.82 HRH4 (0.46) HRH4SIGMAR1VCPCDK9
SCHEMBL13683502 0.82 HRH4 (0.46) HRH4SIGMAR1VCPCDK9
SCHEMBL13668600 0.81 HRH4 (0.49) HRH4VCPCCNT1CDK2IDH1
SCHEMBL17733741 0.81 HRH4 (0.49) HRH4VCPCCNT1CDK2IDH1
SCHEMBL9885082 0.81 HRH4 (0.49) HRH4VCPCCNT1CDK2IDH1
SCHEMBL16790179 0.81 HRH4 (0.49) HRH4VCPCCNT1CDK2IDH1
SCHEMBL9885067 0.81 HRH4 (0.49) HRH4VCPCCNT1CDK2IDH1
SCHEMBL16790180 0.79 HRH4 (0.44) HRH4VCP
SCHEMBL16790280 0.79 HRH4 (0.44) HRH4VCP

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-9375406-B2 Substituted pyrimidines for mobilizing cells expressing a type 4 CXC chemokine receptor TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2016-06-28 US disclosed
US-20160090394-A1 MOBILIZING CELLS EXPRESSING A TYPE 4 CXC CHEMOKINE RECEPTOR WITH 4-AMINO PYRIMIDINE COMPOUNDS GPCR THERAPEUTICS, INC (KR) 2016-03-31 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-20160090394-A1 MOBILIZING CELLS EXPRESSING A TYPE 4 CXC CHEMOKINE RECEPTOR WITH 4-AMINO PYRIMIDINE COMPOUNDS CXCR4, CXCL12, CXCR2 HRH4 765/4885SIGMAR1 2877/4885PTGS2 1432/4885

“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.