SCHEMBL29614745

SCHEMBL29614745

Cn1nc(NC(=O)Nc2ccccc2F)cc1-c1ccc2ccncc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
IMPDH2 P12268 2/20 0.43
ROCK1 Q13464 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 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
SCHEMBL19307218 1.00 RAB9A (0.47) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL29614871 0.87 IMPDH2 (0.42) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL19307104 0.87 IMPDH2 (0.42) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL29614706 0.87 KDM4E (0.53) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL19307111 0.87 KDM4E (0.53) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL29614729 0.86 IMPDH2 (0.54) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL19307170 0.86 IMPDH2 (0.54) RAB9AMAPTNPC1KMT2AIMPDH2
SCHEMBL29614804 0.84 F10 (0.40) IMPDH2GSK3B
SCHEMBL19307230 0.80 IMPDH2 (0.55) IMPDH2ROCK1HTT
SCHEMBL29614770 0.80 IMPDH2 (0.55) IMPDH2ROCK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 RAB9A 3843/4885MAPT 4843/4885NPC1 3794/4885

“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.