SCHEMBL18728443

SCHEMBL18728443

N#Cc1cncc(CCI)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
RAF1 P04049 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA7 P36544 3/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27209742 0.81 HRH3 (0.37) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL7219748 0.81 PDCD1 (0.38) CYP11B1CYP11B2RAF1CHRNB2CHRNA4
SCHEMBL23783636 0.81 CHRNA7 (0.41) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL7673123 0.80 CYP11B1 (0.38) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL2560682 0.79 ADORA2A (0.43) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL7220029 0.78 TSHR (0.44) RAF1GRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL24615861 0.77 GRM5 (0.38) CYP11B1CYP11B2RAF1
SCHEMBL22778574 0.77 NOS1 (0.39) HRH3ADORA2AADORA1ALDH1A1ALOX15
SCHEMBL24107273 0.77 GRIN1 (0.35) CYP11B1CYP11B2RAF1GRIN1GRIN2B
SCHEMBL3508498 0.77 GRIN1 (0.35) CYP11B1CYP11B2RAF1GRIN1GRIN2B

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-108368090-B Compounds as immunomodulators 百时美施贵宝公司 2022-04-12 CN disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 CYP11B1 1657/4885CYP11B2 1237/4885HRH3 1517/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 CYP11B1 1657/4885CYP11B2 1237/4885HRH3 1517/4885

“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.