SCHEMBL12890397

SCHEMBL12890397

CN1CCCCCC2(CCCCCCCCCCC2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL18535491 0.89 USP2 (0.40) NPSR1USP2TSHRCYP1A2
SCHEMBL12946062 0.89 USP2 (0.40) NPSR1USP2TSHRCYP1A2
SCHEMBL19199025 0.89 TSHR (0.36) USP2TSHRCYP1A2
SCHEMBL26041077 0.88 TSHR (0.38) NPSR1USP2TSHRCYP1A2
SCHEMBL1375292 0.88 TSHR (0.38) NPSR1USP2TSHRCYP1A2
SCHEMBL27380027 0.88 TSHR (0.38) NPSR1USP2TSHRCYP1A2
SCHEMBL20411533 0.88 TSHR (0.38) NPSR1USP2TSHRCYP1A2
SCHEMBL13890773 0.88 TSHR (0.38) NPSR1USP2TSHRCYP1A2
SCHEMBL20047143 0.88 TSHR (0.38) NPSR1USP2TSHRCYP1A2
Hydrochloric Acid SCHEMBL1373582 0.86 TSHR (0.37) NPSR1USP2TSHRCYP1A2

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-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA NPSR1 3892/4885USP2 3125/4885KMT2A 2208/4885

“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.