SCHEMBL23664110

SCHEMBL23664110

CC(C)(C)c1nc2ncc(Cl)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
HSD17B10 Q99714 2/20 0.70
HPGD P15428 4/20 0.49
POLB P06746 2/20 0.49
AURKA O14965 1/20 0.47
KIF11 P52732 1/20 0.47
GUSB P08236 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL11219412 0.82 HTT (1.00) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL29368627 0.82 HTT (1.00) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL15746231 0.82 HTT (0.47) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL13154979 0.82 HTT (0.47) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL11774633 0.79 HTT (0.76) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL11782069 0.79 CNR1 (0.50) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL13122856 0.78 HTT (0.44) HTTHSD17B10HPGDPOLBALDH1A1
SCHEMBL12438210 0.78 HTT (0.44) HTTHSD17B10HPGDPOLBALDH1A1
SCHEMBL11775178 0.77 HTT (0.71) HTTHSD17B10HPGDPOLBAURKA
SCHEMBL20909800 0.76 SMN1; SMN2 (0.65) HTTHSD17B10HPGDPOLBAURKA

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
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 US disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 US disclosed
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-23 US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 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-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT HTT 3316/4885HSD17B10 727/4885HPGD 103/4885
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT HTT 1826/4885HSD17B10 1217/4885HPGD 171/4885
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT HTT 1826/4885HSD17B10 1217/4885HPGD 171/4885
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT HTT 3316/4885HSD17B10 727/4885HPGD 103/4885

“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.