SCHEMBL21074669

SCHEMBL21074669

Cc1cc2nc(-c3ccncc3)c(C)nc2cc1C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.45
▸ MAPK11 Q15759 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ HTR2A P28223 2/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CHEK1 O14757 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ IKBKB O14920 2/20 0.36
▸ PRKCI P41743 1/20 0.35
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL21074663 0.79 CHRNB2 (0.66) CHRNB2CHRNA4
SCHEMBL19275554 0.76 HTR2A (0.50) HTR2ACHRNB2CHRNA4HTR2C
SCHEMBL23153170 0.68 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL22795541 0.67 MAPK11 (0.53) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL22005019 0.67 CHEK1 (0.42) HTR2ACHRNB2CHRNA4CHEK1CCNA2
SCHEMBL3255979 0.66 HTR3A (0.48) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL26938735 0.66 HTR2A (0.54) HTR2ACHRNB2CHRNA4HTR2C
Hydrochloric Acid SCHEMBL2320460 0.66 MAPK11 (0.50) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL21074662 0.66 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL1771575 0.65 HTR2A (0.52) HTR2AIKBKBHTR2C

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-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2019-06-06 — — 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-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 MAPK14 4200/4885MAPK11 4289/4885MAPK13 3459/4885

“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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