SCHEMBL2463664

SCHEMBL2463664

Fc1cccc(-c2cc(Cl)ncc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.42
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CCNT1 O60563 2/20 0.40
IDO1 P14902 2/20 0.40
NT5E P21589 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ESR2 Q92731 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
SCHEMBL9929901 0.83 CDK9 (0.57) CDK9CDC7ROCK2MAP4K4PIM1
SCHEMBL30919866 0.80 RPS6KA3 (0.44) MAP4K4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2464140 0.80 CDK9 (0.42) CDK9CCNT1
SCHEMBL2459065 0.80 NFE2L2 (0.39) CDK9CDC7ROCK2MAP4K4PIM1
SCHEMBL23277179 0.80 CYP2A6 (0.46) MAP4K4CLK4
SCHEMBL30919693 0.80 CYP2A6 (0.46) MAP4K4CLK4
SCHEMBL1743003 0.77 CYP2A6 (0.56) MAP4K4IDO1NT5EKCNQ3KCNQ2
SCHEMBL21290181 0.77 MAP4K4 (0.47) MAP4K4CLK4KCNQ3KCNQ2ESR2
SCHEMBL31067182 0.76 ABL1 (0.44) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2460776 0.74 CSNK1D (0.49) CDK9PIM1CDK2GSK3B

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-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO 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-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, CNR1 CDK9 887/4885CDC7 2207/4885ROCK2 726/4885

“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.