SCHEMBL12844158

SCHEMBL12844158

Cc1csc(-c2ccc3c(C=O)n[nH]c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ CHEK1 O14757 14/20 0.40
▸ CDK4 P11802 4/20 0.40
▸ CCNA2 P20248 4/20 0.40
▸ CCND1 P24385 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CCND3 P30281 4/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL1176308 0.79 HAO1 (0.57) HAO1TGFBR1
SCHEMBL12059754 0.78 JAK1 (0.51) TLR9TLR8TLR7HAO1AURKA
SCHEMBL13946440 0.77 KDR (0.43) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL12514626 0.76 CHEK1 (0.47) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL13680625 0.74 CDC25A (0.56) TLR9TLR8TLR7HAO1TGFBR1
SCHEMBL13069126 0.73 PAK1 (0.49) CHEK1HAO1
SCHEMBL15304355 0.73 ITK (0.46) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL29955085 0.73 ITK (0.46) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL1176676 0.71 HAO1 (0.66) TLR9TLR8TLR7HAO1
SCHEMBL21774147 0.70 MAPT (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 — — US disclosed
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 — — EP disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 — — 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-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 TLR9 1095/4885TLR8 591/4885TLR7 146/4885

“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.

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