SCHEMBL5458568

SCHEMBL5458568

c1csc(CCc2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
CYP2D6 P10635 2/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 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
SCHEMBL29086344 0.78 CYP1B1 (0.32)
SCHEMBL2030841 0.76 TAAR1 (0.71) TAAR1TSHRPTGS1PTGS2ADRA2A
SCHEMBL28757397 0.73 TAAR1 (0.41) TAAR1TSHRTRPM8PTGS1PTGS2
SCHEMBL5757407 0.72 RAB9A (0.38) TSHRTRPM8SMN1; SMN2NTRK1NTRK3
SCHEMBL344823 0.72 CES1 (0.46) SMN1; SMN2CYP2D6CYP1A2CYP2C9KCNH2
SCHEMBL24242206 0.71 PARP15 (0.35) SLC6A3
SCHEMBL5759825 0.70 TRPM8 (0.39) TAAR1TRPM8SMN1; SMN2HPGDHTT
SCHEMBL2886837 0.69 TAAR1 (0.52) TAAR1TSHRPTGS1PTGS2ADRA2A
SCHEMBL2883476 0.69 HRH1 (0.50) TAAR1ADRA2AADRA2BSMN1; SMN2CYP2D6
SCHEMBL2719597 0.69 TSHR (0.49) TSHRSMN1; SMN2CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR TAAR1 3460/4885TSHR 1244/4885TRPM8 2429/4885

“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.