SCHEMBL4251960

SCHEMBL4251960

CC(C)(C)OC(=O)NC1CCN(c2ncnc3sccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 3/20 0.55
STAT3 P40763 6/20 0.54
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR2C P28335 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
PEAK1 Q9H792 1/20 0.48
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
HRH1 P35367 1/20 0.47
MEN1 O00255 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
SCHEMBL30034133 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3HTR2CCNR1
SCHEMBL4198419 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3HTR2CCNR1
SCHEMBL2794592 0.81 LMNA (0.55) HTTSMN1; SMN2CNR1CNR2CKS1B
SCHEMBL30945062 0.81 LMNA (0.55) HTTSMN1; SMN2CNR1CNR2CKS1B
SCHEMBL6832454 0.80 ADRB2 (0.52) ADRB2ADRB1ADRB3MAPTCNR1
SCHEMBL10325624 0.80 P2RY12 (0.55) MAPTHTTSMN1; SMN2MEN1
SCHEMBL1005506 0.80 KIT (0.60)
SCHEMBL30151464 0.80 KIT (0.60)
SCHEMBL17080821 0.79 KIT (0.56) NR2F2STAT3NPC1MAPTHTT
SCHEMBL29230373 0.79 CNR1 (0.48) CNR1CNR2CKS1BSKP1SKP2

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 9 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
EP-2013206-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 US disclosed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 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 (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 NR2F2 1922/4885STAT3 361/4885ADRB2 159/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 NR2F2 3391/4885STAT3 861/4885ADRB2 192/4885

“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.