SCHEMBL29393867

SCHEMBL29393867

Cc1cc(-c2ccc(CCl)c(F)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.48
▸ DYRK1A Q13627 2/20 0.46
▸ RIPK3 Q9Y572 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ WNT3A P56704 4/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL19997549 0.85 DYRK1A (0.47) AAK1DYRK1AMAP4K4WNT3APDE3B
SCHEMBL16593240 0.84 DYRK1A (0.46) AAK1DYRK1AMAP4K4WNT3APDE3B
SCHEMBL16606159 0.84 AAK1 (0.48) AAK1DYRK1AMAP4K4WNT3APDE3B
SCHEMBL24767561 0.84 AAK1 (0.48) AAK1DYRK1AMAP4K4WNT3APDE3B
Bromide SCHEMBL16593406 0.83 AAK1 (0.47) AAK1DYRK1AMAP4K4WNT3APDE3B
Bicarbonate SCHEMBL28852218 0.78 AAK1 (0.44) AAK1DYRK1AWNT3APSEN1PSEN2
SCHEMBL13036114 0.78 DYRK1A (0.53) AAK1DYRK1AMAP4K4WNT3APDE3B
SCHEMBL14970119 0.75 GRM2 (0.50) AAK1DYRK1AMAP4K4MAPK13GCGR
SCHEMBL22886739 0.75 DYRK1A (0.50) AAK1DYRK1AMAP4K4WNT3APDE3B
SCHEMBL22001270 0.75 MAP4K4 (0.50) AAK1DYRK1AMAP4K4WNT3APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041606-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 UNIV VANDERBILT (US) 2022-02-10 — — 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-20220041606-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 AAK1 606/4885DYRK1A 690/4885RIPK3 1974/4885

“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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