SCHEMBL17059804

SCHEMBL17059804

CN1C(=O)c2ccccc2N(C)c2cc(Cl)ncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 6/20 0.54
▸ BRD4 O60885 3/20 0.54
▸ TTR P02766 2/20 0.47
▸ CES1 P23141 1/20 0.47
▸ DRD2 P14416 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ DCLK1 O15075 3/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ AURKA O14965 3/20 0.42
▸ PIK3C2G O75747 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ LRRK2 Q5S007 3/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ DRD1 P21728 1/20 0.40

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
SCHEMBL18379111 0.85 MAPK7 (0.54) MAPK7BRD4TTRCES1DRD2
SCHEMBL17059738 0.84 DCLK1 (0.45) MAPK7BRD4TTRCES1DRD2
SCHEMBL22137443 0.84 MAPK7 (0.55) MAPK7BRD4TTRCES1DRD2
SCHEMBL18369919 0.79 MAPK7 (0.56) MAPK7BRD4DCLK1PIK3CDAURKA
SCHEMBL17059740 0.77 MAPK7 (0.42) MAPK7BRD4TTRCES1LRRK2
SCHEMBL17059742 0.77 MAPK7 (0.57) MAPK7BRD4TTRCES1DRD2
SCHEMBL12059596 0.77 TTR (0.69) TTRCES1DRD2HTR6LRRK2
SCHEMBL16127516 0.77 TTR (0.75) TTRCES1DRD2HTR6LRRK2
SCHEMBL17059747 0.76 MAPT (0.46) LMNAMAPTALDH1A1HPGD
SCHEMBL10098691 0.75 MAPK7 (0.56) MAPK7BRD4TTRCES1DCLK1

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-20210070731-A1 TRICYCLIC KINASE INHIBITORS AND USE THEREOF NAMDEV NIVEDITA (US) 2021-03-11 — — US disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
WO-2015129927-A1 HETEROCYCLIC COMPOUNDS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-09-03 — — 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 (2 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-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 MAPK7 58/4885BRD4 4/4885TTR 4074/4885
US-20210070731-A1 TRICYCLIC KINASE INHIBITORS AND USE THEREOF MARK3, MARK2, MARK1 MAPK7 114/4885BRD4 1207/4885TTR 4838/4885

“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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