SCHEMBL18786677

SCHEMBL18786677

CC1=NC(=O)c2ccc(Nc3cc(C)ncn3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.49
▸ CD274 Q9NZQ7 1/20 0.49
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ MKNK1 Q9BUB5 5/20 0.40
▸ DOT1L Q8TEK3 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ TNNI3K Q59H18 2/20 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
SCHEMBL18786750 0.84 BCL6 (0.40) THRBCD274EGFRMKNK1DOT1L
SCHEMBL18786613 0.82 MKNK1 (0.55) EGFRERBB2MKNK1MKNK2
SCHEMBL27991640 0.72 CYP1A2 (0.60) THRBCD274EGFRERBB2CYP1A2
SCHEMBL18786679 0.71 MKNK1 (0.70) THRBCD274MKNK1DOT1LABCB1
SCHEMBL18787034 0.70 MKNK1 (0.61) EGFRERBB2MKNK1TNNI3KCLK4
SCHEMBL11919063 0.68 CD274 (0.54) THRBCD274DOT1LCYP1A2CYP3A4
SCHEMBL18786656 0.67 MKNK1 (0.63) MKNK1MKNK2
SCHEMBL19124739 0.67 S100A4 (0.48) MAPK1LMNA
SCHEMBL17671420 0.66 MAOA (0.48) ALDH1A1
SCHEMBL18786957 0.66 MKNK1 (0.54) EGFRERBB2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 — — US disclosed
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 EFFECTOR THERAPEUTICS, INC. (US) 2018-10-30 — — US disclosed
EP-3368530-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 Effector Therapeutics Inc. (US) 2018-09-05 — — EP disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 — — US disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 — — WO 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-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 NEK9, NEK2, NEK3 THRB 1031/4885CD274 2476/4885EGFR 3578/4885
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 THRB 1031/4885CD274 2476/4885EGFR 3578/4885
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 THRB 1031/4885CD274 2476/4885EGFR 3578/4885

“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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