SCHEMBL2868069

SCHEMBL2868069

CNC(=O)Cn1nnc2[c]cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGAM O43451 2/20 0.37
AMY1A P0DUB6 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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 0.82 MGAM (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2866375 0.81 TDO2 (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2872320 0.78 MAPK1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2868074 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15155876 0.73 SLC9A1 (0.56) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL2207685 0.69 RAB9A (0.35) RAB9ASMN1; SMN2LMNANPSR1GAA
SCHEMBL7959 0.67 SLC9A1 (0.48)
SCHEMBL34349 0.67 POLB (0.48) LMNAKDM4EPOLB
SCHEMBL10552820 0.66 TSHR (0.33) RAB9ANPC1SMN1; SMN2TSHRNPSR1
SCHEMBL4006348 0.66 TSHR (0.41) RAB9ANPC1SMN1; SMN2KMT2ALMNA

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 RAB9A 2796/4885NPC1 4464/4885SMN1; SMN2 2889/4885

“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.