SCHEMBL3610030

SCHEMBL3610030

CSc1ccccc1N1CN2C(C(=O)OC(C)(C)C)CNCC2C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CDK1 P06493 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3597655 0.85 CASP1 (0.40) CDK1
SCHEMBL3606704 0.85 ALDH1A1 (0.35) CDK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3599630 0.84 OPRM1 (0.35) CDK1
SCHEMBL3604816 0.83 GPR119 (0.36)
SCHEMBL3607850 0.81 GPR119 (0.40)
SCHEMBL3606996 0.81 KMT2A (0.39) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3607765 0.80 ALOX5 (0.34) KMT2AMAPT
SCHEMBL3605596 0.77 ALDH1A1 (0.37) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3607457 0.77 USP30 (0.44)
SCHEMBL3609805 0.77 ALDH1A1 (0.35) MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A MAPK1 737/4885HTR2A 3/4885HTR2C 1/4885

“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.