SCHEMBL1794404

SCHEMBL1794404

NC(=O)c1cccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.44
PRKCI P41743 1/20 0.41
TAAR1 Q96RJ0 5/20 0.40
CCNT1 O60563 1/20 0.40
CCND1 P24385 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MEP1B Q16820 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
FYN P06241 1/20 0.38
CHEK2 O96017 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1793716 0.86 CXCR4 (0.53) CXCR4PRKCITAAR1CDK8CDK7
SCHEMBL14856665 0.83 TAAR1 (0.53) CXCR4TAAR1SMN1; SMN2GAACYP2D6
SCHEMBL14856732 0.81 NAMPT (0.50) CXCR4CCND1SMN1; SMN2GAATSHR
SCHEMBL15603366 0.79 CXCR4 (0.40) CXCR4TAAR1
SCHEMBL1810039 0.78 CXCR4 (0.41) CXCR4TAAR1SMN1; SMN2GAACYP2D6
SCHEMBL1812657 0.78 CXCR4 (0.43) CXCR4TAAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1808509 0.76 CXCR4 (0.41) CXCR4TAAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1807966 0.75 CXCR4 (0.40) CXCR4TAAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1810957 0.75 CXCR4 (0.45) CXCR4TAAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL4589896 0.74 CXCR4 (0.48) CXCR4TAAR1SMN1; SMN2ALDH1A1

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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 CXCR4 1/4885PRKCI 3164/4885TAAR1 903/4885

“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.