SCHEMBL2866375

SCHEMBL2866375

NC(=O)Cn1nnc2[c]cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.39
GAA P10253 9/20 0.39
MGAM O43451 7/20 0.39
AMY1A P0DUB6 7/20 0.39
SI P14410 7/20 0.39
MGAM2 Q2M2H8 7/20 0.39
RAB9A P51151 6/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2871727 0.86 MGAM (0.43) GAAMGAMAMY1ASIMGAM2
SCHEMBL2868069 0.81 RAB9A (0.42) GAAMGAMAMY1ASIMGAM2
SCHEMBL2872320 0.79 MAPK1 (0.47) RAB9AKDM4EMAPK1NPC1SMN1; SMN2
SCHEMBL2070662 0.74 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL15155876 0.73 SLC9A1 (0.56) RAB9ANPC1CYP2C9CYP2C19LMNA
SCHEMBL2207685 0.72 RAB9A (0.35) GAARAB9AKDM4EMAPK1SMN1; SMN2
SCHEMBL10537094 0.70
SCHEMBL34349 0.70 POLB (0.48) KDM4EMAPK1LMNAMAPT
SCHEMBL7959 0.66 SLC9A1 (0.48)
SCHEMBL10552820 0.66 TSHR (0.33) RAB9ANPC1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US claimed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US claimed
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 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 (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-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM TDO2 4306/4885GAA 3527/4885MGAM 3549/4885

“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.