SCHEMBL6880171

SCHEMBL6880171

CSc1ncc(C(=O)O)c(Oc2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.42
PTGER4 P35408 3/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL6872458 0.87 KMT2A (0.63) MAPTTDP1KDM4ECYP1A2CYP2C9
SCHEMBL7143099 0.82 MAPT (0.49) MAPTTDP1KDM4ECYP1A2CYP2C9
SCHEMBL6879275 0.81 NPSR1 (0.63) MAPTTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL6881040 0.79 MAPT (0.49) MAPTTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL16670315 0.79 KMT2A (0.50) MAPTTDP1KDM4ECYP1A2CYP2C9
SCHEMBL6880096 0.78 RXFP1 (0.49) MAPTTDP1NPSR1KMT2AMEN1
SCHEMBL6016291 0.78 RXFP1 (0.62) MAPTRXFP1PDE4B
SCHEMBL6881377 0.77 GPBAR1 (0.52) MAPTTDP1KDM4ENPSR1KMT2A
SCHEMBL13185186 0.77 ALDH1A1 (0.58) MAPTTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL6872075 0.77 CYP1A2 (0.51) MAPTTDP1KDM4ECYP1A2CYP2C9

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-6787539-B2 HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1339698-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 US disclosed
WO-2002042280-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO 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-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives TACR1, TACR2, P2RY2 MAPT 4715/4885TDP1 3804/4885KDM4E 3664/4885

“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.