SCHEMBL990552

SCHEMBL990552

CCOC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CA12 O43570 5/20 0.47
▸ CA9 Q16790 5/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ TGFBR1 P36897 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
SCHEMBL15750457 0.85 NPC1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL15750534 0.82 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL989198 0.81 L3MBTL1 (0.43) ALDH1A1RAB9AKDM4EHPGDMAPT
SCHEMBL7965075 0.79 NPSR1 (0.77) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL22897187 0.78 MAPK1 (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL4834086 0.77 MAPK1 (0.52) ALDH1A1NPC1RAB9AMAPK1NPSR1
SCHEMBL22331098 0.77 NPSR1 (0.73) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL21166073 0.76 TSHR (0.46) ALDH1A1NPC1RAB9AKDM4EMAPK1
SCHEMBL30406249 0.76 GABRB2 (0.44) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL1776614 0.75 KDM4E (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD

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-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 — — US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 — — 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 ALDH1A1 3631/4885NPC1 2472/4885RAB9A 1892/4885

“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.

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