SCHEMBL16306322

SCHEMBL16306322

CC1=C(C)Nc2ccccc2C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.65
▸ LRRK2 Q5S007 2/20 0.65
▸ PDGFRA P16234 1/20 0.65
▸ FER P16591 1/20 0.65
▸ LTK P29376 1/20 0.65
▸ CDK8 P49336 1/20 0.65
▸ DYRK1B Q9Y463 1/20 0.65
▸ CSNK1G1 Q9HCP0 1/20 0.58
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ GSK3B P49841 1/20 0.52
▸ ROS1 P08922 1/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ CHEK1 O14757 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CASP3 P42574 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ CASP6 P55212 2/20 0.45

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
SCHEMBL2420711 0.84 LRRK2 (0.90) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL366728 0.84 — —
SCHEMBL9653269 0.83 ACVR1 (0.65) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL27980501 0.79 LRRK2 (0.82) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL1368292 0.79 LRRK2 (1.00) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL8507659 0.78 CSNK1G1 (0.72) ACVR1LRRK2PDGFRAFERLTK
Hydrochloric Acid SCHEMBL6299954 0.77 LRRK2 (0.95) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL25963744 0.77 LRRK2 (0.63) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL28886187 0.76 LRRK2 (0.75) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL14491948 0.75 NOX1 (0.42) ACVR1LRRK2PDGFRAFERLTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 — — US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 — — US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 — — 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ACVR1 3474/4885LRRK2 421/4885PDGFRA 3286/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ACVR1 3474/4885LRRK2 421/4885PDGFRA 3286/4885

“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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