SCHEMBL17833386

SCHEMBL17833386

N#CCNC(=O)Cn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 1/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GSK3B P49841 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL19714100 0.88 LMNA (0.73) LMNATSHRHTTMEN1PKM
SCHEMBL17824292 0.85 MEN1 (0.64) LMNATSHRHTTMEN1PKM
SCHEMBL17824280 0.84 LMNA (0.61) LMNATSHRHTTMEN1PKM
SCHEMBL19713883 0.84 MEN1 (0.79) LMNATSHRHTTMEN1PKM
SCHEMBL17833385 0.83 LMNA (0.60) LMNATSHRHTTMEN1PKM
SCHEMBL19713983 0.83 MEN1 (0.65) LMNATSHRHTTMEN1PKM
SCHEMBL17824282 0.82 MEN1 (0.64) LMNATSHRHTTMEN1PKM
SCHEMBL17824312 0.82 RAB9A (0.64) LMNATSHRHTTMEN1PKM
SCHEMBL19713871 0.81 CYP1A2 (0.63) LMNATSHRHTTMEN1PKM
SCHEMBL20715535 0.81 LMNA (0.57) LMNATSHRHTTMEN1PKM

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 LMNA 301/4885TSHR 4613/4885HTT 3064/4885

“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.