SCHEMBL18591235

SCHEMBL18591235

CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2cc(-c3ccc(F)nc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.42
▸ ICMT O60725 2/20 0.41
▸ GRIN2B Q13224 5/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ JAK1 P23458 4/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL18591225 0.89 ICMT (0.43) CFDICMTGRIN2BJAK1JAK3
SCHEMBL18591231 0.89 ICMT (0.41) CFDICMTGRIN2B
SCHEMBL29774878 0.88 ICMT (0.44) CFDICMTGRIN2B
SCHEMBL18554883 0.88 ICMT (0.44) CFDICMTGRIN2B
SCHEMBL18591227 0.87 MKNK1 (0.44) CFDICMTJAK1JAK3JAK2
SCHEMBL18591234 0.84 ICMT (0.43) CFDICMTGRIN2BMAP4K4JAK1
SCHEMBL18591221 0.84 NR4A2 (0.50) ICMTKCNH2
SCHEMBL29841017 0.84 NR4A2 (0.50) ICMTKCNH2
SCHEMBL29841081 0.82 ICMT (0.38) CFDICMTGRIN2BWNT1DYRK1A
SCHEMBL18591239 0.82 ICMT (0.38) CFDICMTGRIN2BWNT1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 — — US disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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 (3 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 CFD 1/4885ICMT 4435/4885GRIN2B 3244/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CFD 1/4885ICMT 4435/4885GRIN2B 3244/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CFD 1/4885ICMT 4435/4885GRIN2B 3244/4885

“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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