SCHEMBL15723720

SCHEMBL15723720

C=C1CN(C(C)C)c2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CASP3 P42574 1/20 0.32
CASP2 P42575 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
BRPF1 P55201 1/20 0.31

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
SCHEMBL4546575 0.79 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL10094143 0.71 BRPF1 (0.42) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL21396930 0.70 TSPO (0.54)
SCHEMBL22605558 0.70 BRPF1 (0.39) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL22605706 0.70 DDB1 (0.46) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL13157560 0.69 SMN1; SMN2 (0.39) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL25758477 0.69 BRD4 (0.46) SMN1; SMN2MEN1KMT2AMAPK1LMNA
SCHEMBL25987598 0.69
SCHEMBL12139349 0.68 BRD4 (0.41) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL21281327 0.68 CASP3 (0.54) GAAMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SMN1; SMN2 3500/4885GAA 148/4885MEN1 2645/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SMN1; SMN2 3500/4885GAA 148/4885MEN1 2645/4885

“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.