SCHEMBL17824315

SCHEMBL17824315

COCCNC(=O)Cn1c(N)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
HTT P42858 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 2/20 0.48
F2R P25116 1/20 0.47
MMP2 P08253 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL17824289 0.86 LMNA (0.66) HTTTSHRLMNACYP1A2CYP2D6
SCHEMBL17824310 0.85 LMNA (0.53) ADORA2AADORA1HTTALDH1A1TSHR
SCHEMBL17824318 0.81 RAB9A (0.53) ADORA2AADORA1HTTALDH1A1TSHR
SCHEMBL17824297 0.81 ALDH1A1 (0.67) HTTALDH1A1TSHRLMNAKDM4E
SCHEMBL17824312 0.81 RAB9A (0.64) HTTALDH1A1TSHRLMNACYP1A2
SCHEMBL17824317 0.80 ALDH1A1 (0.59) HTTALDH1A1TSHRLMNARAB9A
SCHEMBL17824306 0.79 MAPT (0.71) TSHRRAB9A
SCHEMBL17329330 0.79 MMP2 (0.67) HTTTSHRLMNACYP1A2CYP2D6
SCHEMBL19714422 0.78 MEN1 (0.52) ADORA2AADORA1HTTALDH1A1TSHR
SCHEMBL19713961 0.78 MEN1 (0.52) ADORA2AADORA1HTTALDH1A1TSHR

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
EP-3230275-A1 PRO-SURVIVAL COMPOUNDS University Court of The University of Glasgow (GB) 2017-10-18 EP 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 ADORA2A 3489/4885ADORA1 4295/4885HTT 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.