SCHEMBL2228895

SCHEMBL2228895

CCCCc1c(C)cccc1C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 5/20 0.53
PLK1 P53350 3/20 0.49
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
F2R P25116 1/20 0.40
KMT2A Q03164 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
SCHEMBL2225317 0.86 CXCR5 (0.52) CXCR5TSHRHTTHPGDSMN1; SMN2
SCHEMBL14688165 0.85 PLK1 (0.47) CXCR5PLK1HTTGAAHPGD
SCHEMBL27778033 0.84 PLK1 (0.46) CXCR5PLK1TSHRHTTCYP2C9
SCHEMBL28638059 0.81 CXCR5 (0.47) CXCR5TSHRHTTHPGDSMN1; SMN2
SCHEMBL6859420 0.81 KDM4E (0.52) CXCR5PLK1TSHRCYP2C9HPGD
SCHEMBL2225803 0.81 CXCR5 (0.43) CXCR5PLK1HTTGAAHPGD
SCHEMBL20161944 0.81 CXCR5 (0.47) CXCR5TSHRHTTSMN1; SMN2KMT2A
SCHEMBL27556126 0.80 CYP3A4 (0.46) CXCR5TSHRHTTHPGDKMT2A
Ammonia Solution, Strong SCHEMBL7716826 0.77 CXCR5 (0.53) CXCR5PLK1HPGD
Ammonia Solution, Strong SCHEMBL7716827 0.77 CXCR5 (0.53) CXCR5PLK1HPGD

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-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B CXCR5 4427/4885PLK1 2219/4885TSHR 3909/4885

“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.