SCHEMBL1108900

SCHEMBL1108900

Clc1cnc(OC2CCN(c3nnc(C4(c5ccccc5)CC4)n3CC3CC3)CC2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 15/20 0.39
HSD11B1 P28845 3/20 0.37
MDM2 Q00987 1/20 0.37
MALT1 Q9UDY8 1/20 0.35
NR1I2 O75469 2/20 0.34

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
SCHEMBL1108903 0.90 IP6K1 (0.37) IP6K1MALT1
SCHEMBL13436659 0.89 IP6K1 (0.40) IP6K1MALT1
SCHEMBL1108896 0.89 IP6K1 (0.37) IP6K1MALT1
SCHEMBL1108901 0.88 IP6K1 (0.38) IP6K1MALT1
SCHEMBL1108899 0.88 IP6K1 (0.36) IP6K1HSD11B1MALT1NR1I2
SCHEMBL1108897 0.87 IP6K1 (0.39) IP6K1
SCHEMBL13436648 0.85 HSD11B1 (0.39) IP6K1HSD11B1MALT1NR1I2
SCHEMBL1108902 0.85 IP6K1 (0.38) IP6K1HSD11B1MALT1NR1I2
SCHEMBL1108904 0.83 IP6K1 (0.38) IP6K1MALT1
SCHEMBL1108905 0.82 HSD11B1 (0.42) IP6K1HSD11B1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 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 (2 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-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO HSD11B1, HSD17B1, HSD17B3 IP6K1 1501/4885HSD11B1 1/4885MDM2 4171/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 IP6K1 1518/4885HSD11B1 41/4885MDM2 3699/4885

“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.