SCHEMBL5451372

SCHEMBL5451372

N#CCc1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
TDP1 Q9NUW8 5/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALOX15 P16050 4/20 0.55
ALPL P05186 2/20 0.55
PKM P14618 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 8/20 0.54
LMNA P02545 6/20 0.54
HTT P42858 5/20 0.54
TP53 P04637 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
USP30 Q70CQ3 1/20 0.46
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 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
SCHEMBL30689181 0.80 SMN1; SMN2 (0.60) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL30689228 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL2228076 0.78 NR1H2 (0.60) SMN1; SMN2NPC1RAB9AALPLLMNA
SCHEMBL18010783 0.76 SMN1; SMN2 (0.55) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL6439983 0.76 SMN1; SMN2 (0.55) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL27880002 0.75 SMN1; SMN2 (0.56) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL2553549 0.74 L3MBTL1 (0.66) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL23488391 0.74 SMN1; SMN2 (0.53) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL4031573 0.72 SMN1; SMN2 (0.51) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL8311588 0.72 SMN1; SMN2 (1.00) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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 (3 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 SMN1; SMN2 451/4885TDP1 1958/4885L3MBTL1 2093/4885
US-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 SMN1; SMN2 4277/4885TDP1 2121/4885L3MBTL1 3180/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT SMN1; SMN2 74/4885TDP1 2746/4885L3MBTL1 1800/4885

“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.