SCHEMBL23407635

SCHEMBL23407635

Cc1cc(-n2ccnc2-c2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.45
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
KDR P35968 2/20 0.41
SCN5A Q14524 3/20 0.40
MAPK1 P28482 2/20 0.39
DYRK1A Q13627 2/20 0.38
CACNA2D1 P54289 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MCHR1 Q99705 1/20 0.38
TDP2 O95551 1/20 0.37
WNT3A P56704 1/20 0.37

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
SCHEMBL25754727 0.76 DYRK1A (0.65) GRM2SCN5ADYRK1ASCN10AWNT3A
SCHEMBL14960652 0.76 KDM4E (0.46) GRM2SCN5ACACNA2D1KDM4EGAA
SCHEMBL28594869 0.76 SMO (0.52) MAPK9MAPK10SCN5ADYRK1A
SCHEMBL12277365 0.72 HSD11B1 (0.46) SCN5ACACNA2D1KDM4EGAAMAPT
SCHEMBL2743895 0.72 MAPT (0.49) KDRMAPK1KDM4EMAPTNPC1
SCHEMBL20254281 0.72 CYP3A4 (0.59) KDM4EGAAMAPTALDH1A1
SCHEMBL27800423 0.72 KDM4E (0.45) SCN5ACACNA2D1KDM4EGAAMAPT
SCHEMBL2743893 0.72 MAPT (0.53) KDRMAPTNPC1RAB9A
SCHEMBL2743897 0.71 MAPT (0.41) MAPK9MAPK10CACNA2D1MAPT
SCHEMBL12368117 0.70 DYRK1A (0.45) GRM2SCN5AMAPK1DYRK1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 GRM2 4622/4885MAPK9 1962/4885MAPK10 2323/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 GRM2 4622/4885MAPK9 1962/4885MAPK10 2323/4885

“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.