SCHEMBL2868074

SCHEMBL2868074

CNC(=O)Cn1nnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 8/20 0.67
SMN1; SMN2 Q16637 4/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HSD17B10 Q99714 1/20 0.66
GAA P10253 8/20 0.61
MGAM O43451 6/20 0.61
AMY1A P0DUB6 6/20 0.61
SI P14410 6/20 0.61
MGAM2 Q2M2H8 6/20 0.61
HTT P42858 1/20 0.61
APAF1 O14727 1/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP2C9 P11712 1/20 0.56

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
SCHEMBL1689837 0.82 GAA (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5859703 0.82 KDM4E (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2607469 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29625506 0.80 GAA (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL361654 0.80 GAA (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14526175 0.80 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20109729 0.79 GAA (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2070662 0.79 GAA (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11524883 0.79 GAA (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29937880 0.79 GAA (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 9 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-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO 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
EP-2212328-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 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-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.