SCHEMBL20174708

SCHEMBL20174708

OC1(c2ccccc2-c2csc3ccccc23)c2ccccc2-c2c(Br)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.46
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
APP P05067 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2A6 P11509 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ERN1 O75460 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL20199303 0.86 PDK2 (0.35) PDK2APPCYP2C9CYP2A6CHRM2
SCHEMBL19760327 0.81 PDK2 (0.45) PDK2CA1CA2CA7CA9
SCHEMBL20174698 0.80 PDK2 (0.47) PDK2APPCYP2C9CYP2A6CHRM2
SCHEMBL19683792 0.79 PDK2 (0.51) PDK2CA1CA2CA7CA9
SCHEMBL22522739 0.76 PDK2 (0.48) PDK2CA1CA2CA7CA9
SCHEMBL20174709 0.75 CYP2A6 (0.42) APPCYP2C9CYP2A6CHRM2CHRM4
SCHEMBL20175214 0.74 PDK2 (0.41) PDK2APPCYP2C9CYP2A6ERN1
SCHEMBL15587219 0.74 PDK2 (0.55) PDK2CA1CA2CA7CA9
SCHEMBL20199300 0.74 PDK2 (0.46) PDK2CA1CA2CA7CA9
SCHEMBL20174704 0.73 PDK2 (0.45) PDK2CA1CA2CA7CA9

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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885CA1 3361/4885CA2 3615/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885CA1 3361/4885CA2 3615/4885

“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.