SCHEMBL4245389

SCHEMBL4245389

NC1CCN(c2ncnc3sccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.65
STAT3 P40763 6/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 1/20 0.62
NR2F2 P24468 4/20 0.60
HRH1 P35367 1/20 0.58
AKT2 P31751 2/20 0.56
KIT P10721 1/20 0.56
GSK3B P49841 1/20 0.56
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
PEAK1 Q9H792 1/20 0.52
ADRB2 P07550 2/20 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
SCHEMBL30945075 1.00 HTR2C (0.65) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL17516462 0.85 HTR2C (0.65) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL4192433 0.85 HTR2C (0.65) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL5107750 0.80 HTR2C (0.70) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL12789895 0.80 MEN1 (0.71) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL29230284 0.79 STAT3 (0.61) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL4922800 0.79 HTR2C (1.00) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL1900780 0.79 STAT3 (1.00) HTR2CSTAT3MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL30569569 0.78 HTR2C (0.97) HTR2CSTAT3MAPTHTTSMN1; SMN2
SCHEMBL4440479 0.77 L3MBTL1 (0.72) HTR2CSTAT3MAPTHTTSMN1; 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
CN-118146226-A Pyrrolo [2,3-d ] pyrimidine compound with nitrogen-containing heterocyclic structure, and preparation method and application thereof 贵州大学 2024-06-07 CN disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 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-20090124610-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, CDK1 HTR2C 686/4885STAT3 361/4885MAPT 1230/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 HTR2C 223/4885STAT3 861/4885MAPT 1853/4885

“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.