SCHEMBL3608218

SCHEMBL3608218

Cn1c(C(=O)Nc2[c]cccc2)cc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ROCK1 Q13464 2/20 0.47
PHGDH O43175 1/20 0.47
LMNA P02545 1/20 0.47
SLC9A1 P19634 1/20 0.47
GRM4 Q14833 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.45
MAP3K5 Q99683 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CHRNA7 P36544 1/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL3608221 0.80 ROCK1 (0.57) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL6017856 0.79 MCL1 (0.66) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL1093913 0.76 MCL1 (0.67) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL29581946 0.76 MCL1 (0.67) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL30525414 0.75 MCL1 (0.65) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL13753389 0.73 PHGDH (0.66) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL13753351 0.73 MCL1 (0.61) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL16599480 0.72 MCL1 (0.76) MCL1MEN1NPC1RAB9AKMT2A
SCHEMBL13406296 0.71 KDM4E (0.56) MEN1NPC1RAB9AKMT2AGRM4
SCHEMBL117186 0.71 MCL1 (1.00) MCL1MEN1NPC1RAB9AKMT2A

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-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MCL1 731/4885MEN1 2197/4885NPC1 4106/4885

“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.