SCHEMBL6661733

SCHEMBL6661733

Cc1ccc(-c2csc3ncnc(O)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
CSNK2A2 P19784 4/20 0.57
CSNK2B P67870 4/20 0.57
CSNK2A1 P68400 4/20 0.57
FGFR1 P11362 3/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 4/20 0.56
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 1/20 0.54
HTT P42858 5/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 4/20 0.53
TSHR P16473 1/20 0.53
PIP4K2C Q8TBX8 1/20 0.52

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
SCHEMBL6663533 0.84 SMN1; SMN2 (0.68) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1
SCHEMBL6663303 0.84 SMN1; SMN2 (0.68) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1
SCHEMBL4553755 0.84 FGFR1 (0.67) CSNK2A2CSNK2BCSNK2A1FGFR1ALDH1A1
SCHEMBL3172318 0.84 SMN1; SMN2 (0.50) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1
SCHEMBL2368917 0.81 MAPT (0.77) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1
SCHEMBL6641938 0.81 CCR1 (0.42) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1
SCHEMBL3163264 0.76 FGFR1 (0.49) CSNK2A2CSNK2BCSNK2A1FGFR1ALDH1A1
SCHEMBL1604974 0.76 MRGPRX1 (0.46) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1
SCHEMBL24034414 0.75 KMT2A (0.69) NPSR1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL18292436 0.75 HTT (0.61) NPSR1CSNK2A2CSNK2BCSNK2A1FGFR1

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-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 US disclosed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 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-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 NPSR1 4/4885CSNK2A2 2323/4885CSNK2B 1684/4885

“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.