SCHEMBL12668912

SCHEMBL12668912

CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ HPGD P15428 1/20 0.62
▸ KMT2A Q03164 2/20 0.60
▸ DRD4 P21917 1/20 0.57
▸ GRM2 Q14416 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.56
▸ MAPT P10636 5/20 0.56
▸ GAA P10253 2/20 0.56
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ABL1 P00519 1/20 0.52
▸ HSD11B1 P28845 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ SMO Q99835 1/20 0.51

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
SCHEMBL14349615 0.86 KDM4E (0.52) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL16256947 0.86 SMN1; SMN2 (0.57) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL8082196 0.83 SMN1; SMN2 (0.62) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL13168260 0.83 SMN1; SMN2 (0.51) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL28769835 0.83 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL27897800 0.82 DRD4 (0.55) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL27707250 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL27728208 0.82 DRD4 (0.55) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL27605771 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HPGDKMT2ADRD4GRM2
SCHEMBL23207522 0.80 KDM4E (0.62) SMN1; SMN2HPGDKMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — 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-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B SMN1; SMN2 999/4885HPGD 1163/4885KMT2A 1541/4885

“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.

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