SCHEMBL21052609

SCHEMBL21052609

O=c1oc2ccccc2n1C[C@H]1CC[C@@H](c2ccnc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
PTK2B Q14289 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL22424946 1.00 USP2 (0.43) USP2HPGDTSHRESR1POLB
SCHEMBL21146459 1.00 USP2 (0.43) USP2HPGDTSHRESR1POLB
SCHEMBL30195005 0.80 TSHR (0.64) USP2HPGDTSHRMAPK1ALDH1A1
SCHEMBL22424961 0.79 HPGD (0.44) HPGDTSHRPOLBPTK2BHSD17B10
SCHEMBL21146454 0.79 HPGD (0.44) HPGDTSHRPOLBPTK2BHSD17B10
SCHEMBL22425160 0.79 HPGD (0.44) HPGDTSHRPOLBPTK2BHSD17B10
SCHEMBL21146732 0.76 DRD2 (0.35) HPGDTSHRALOX15PTK2BHSD17B10
SCHEMBL12433043 0.74 USP2 (0.58) USP2HPGDTSHRMAPK1
SCHEMBL29392938 0.73 MAPT (0.54) HPGDTSHRALOX15PTK2BHSD17B10
SCHEMBL17075123 0.73 MAPT (0.54) HPGDTSHRALOX15PTK2BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720843-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-10-14 EP disclosed
US-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
US-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
WO-2019111107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-13 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-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 USP2 1407/4885HPGD 82/4885TSHR 3153/4885

“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.