SCHEMBL22313625

SCHEMBL22313625

CCc1ccc2nc(/C(C#N)=C/C(C)(C)C)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
KDM4E B2RXH2 7/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
XDH P47989 4/20 0.35
TLR4 O00206 3/20 0.35

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
SCHEMBL21160734 0.80 MAPT (0.59) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL21160712 0.80 TTR (0.43) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL24089827 0.74 TTR (0.40) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL22313950 0.73 RAB9A (0.47) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL21231323 0.68 LMNA (0.41) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL253529 0.68 PIK3CG (0.56) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL8170906 0.66 TAS1R3 (0.46) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL10222344 0.66 GAA (0.53) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL9304822 0.65 RAB9A (0.41) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL9305682 0.65 RAB9A (0.46) MAPTKDM4EMEN1KMT2ARAB9A

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-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 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-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN MAPT 3407/4885KDM4E 4770/4885NPSR1 3942/4885

“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.