SCHEMBL1801117

SCHEMBL1801117

CCNc1cccc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
DHPS P49366 3/20 0.46
AHR P35869 1/20 0.46
HTR6 P50406 1/20 0.44
CCR4 P51679 1/20 0.43
HTR1B P28222 2/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
IDO1 P14902 1/20 0.41
RET P07949 1/20 0.40
PGK1 P00558 1/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
HTR1A P08908 3/20 0.39

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
SCHEMBL13717311 0.79 CA12 (0.54) MAPK1DHPSAHRHTR6CCR4
SCHEMBL2713353 0.79 MAPK1 (0.56) MAPK1DHPSAHRHTR6CCR4
Hydrochloric Acid SCHEMBL27532366 0.77 MAPK1 (0.54) MAPK1DHPSAHRHTR6CCR4
SCHEMBL29938866 0.76 PARP1 (0.68) MAPK1DHPSAHRHTR6PARP1
SCHEMBL24728279 0.76 MAPK1 (0.46) MAPK1DHPSAHRHTR6CCR4
SCHEMBL10374550 0.76 HTR6 (0.57) MAPK1DHPSAHRHTR6CCR4
SCHEMBL30753171 0.76 HTR2A (0.51) AHRHTR6IDO1MEN1KMT2A
SCHEMBL1260955 0.76 HTR2A (0.51) AHRHTR6IDO1MEN1KMT2A
SCHEMBL25120814 0.75 DHPS (0.57) MAPK1DHPS
SCHEMBL22001217 0.74 MAPK1 (0.51) MAPK1DHPSAHRHTR6CCR4

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-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
CN-101146776-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2008-03-19 CN disclosed
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 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-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGER2, PTGDR2, PTGER1 MAPK1 2434/4885DHPS 1678/4885AHR 1505/4885

“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.