SCHEMBL13640916

SCHEMBL13640916

c1nc(N2CCCCC2)c2ccsc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.72
MEN1 O00255 1/20 0.68
HRH1 P35367 1/20 0.63
STAT3 P40763 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 2/20 0.59
NPC1 O15118 1/20 0.59
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 1/20 0.56
NR2F2 P24468 3/20 0.55
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
JAK3 P52333 1/20 0.50

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
SCHEMBL12789897 0.86 MEN1 (0.64) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL12789895 0.85 MEN1 (0.71) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL5107750 0.85 HTR2C (0.70) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL14612428 0.85 HTR2C (0.89) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL4922800 0.84 HTR2C (1.00) HTR2CMEN1HRH1STAT3SMN1; SMN2
Hydrochloric Acid SCHEMBL30569569 0.83 HTR2C (0.97) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL12789880 0.81 MEN1 (0.66) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL4245389 0.81 HTR2C (0.65) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL12789889 0.81 MEN1 (0.70) HTR2CMEN1HRH1STAT3SMN1; SMN2
SCHEMBL4192433 0.81 HTR2C (0.65) HTR2CMEN1HRH1STAT3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 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 (4 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-20150025093-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTR2C 4474/4885MEN1 3741/4885HRH1 3500/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTR2C 4474/4885MEN1 3741/4885HRH1 3500/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTR2C 4474/4885MEN1 3741/4885HRH1 3500/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 HTR2C 333/4885MEN1 116/4885HRH1 430/4885

“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.