SCHEMBL6737360

SCHEMBL6737360

Cc1cc(-c2cnc(C(=O)O)s2)ccn1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.47
PIK3CB P42338 1/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FTO Q9C0B1 1/20 0.39
POLQ O75417 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PORCN Q9H237 1/20 0.38
KDM4A O75164 1/20 0.38

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
SCHEMBL17053175 0.98 WNT3A (0.48) WNT3APIK3CBHSD17B1HSD17B2PSEN1
Lithium Ion SCHEMBL6737355 0.84 WNT3A (0.44) WNT3APIK3CBHSD17B1HSD17B2PSEN1
SCHEMBL742466 0.79 CSNK2A1 (0.46) CSNK2A1
SCHEMBL12495956 0.79 HSD17B1 (0.64) HSD17B1HSD17B2
SCHEMBL14496869 0.77 CSNK2A1 (0.47) CSNK2A1
SCHEMBL29505288 0.77 KDM4E (0.56)
SCHEMBL12688213 0.77 HSD17B1 (0.65) HSD17B1HSD17B2
SCHEMBL16896526 0.77 KDM4E (0.56)
SCHEMBL31301407 0.76 CSNK2A1 (0.50) HSD17B1HSD17B2CSNK2A1
SCHEMBL17212175 0.76 HCAR2 (0.46) WNT3AHSD17B1HSD17B2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 WNT3A 3481/4885PIK3CB 3678/4885HSD17B1 1494/4885

“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.