SCHEMBL18337338

SCHEMBL18337338

Cc1nc2ccc(Br)nc2c(=O)n1CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.45
▸ CNR1 P21554 3/20 0.43
▸ CDK9 P50750 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ DYRK2 Q92630 2/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK4 Q9NR20 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ BRD4 O60885 1/20 0.34
▸ GHSR Q92847 2/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL18336768 0.82 KDM4E (0.39) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL18335903 0.75 MEN1 (0.36) AADATMEN1KMT2ALMNAPOLB
SCHEMBL31751270 0.75 KDM4E (0.47) MEN1KMT2ARAB9AHTTSMN1; SMN2
SCHEMBL18335769 0.74 PARG (0.39) CDK9DYRK1AMEN1KMT2ALMNA
SCHEMBL31559679 0.74 CSNK1E (0.43) CDK9DYRK1ADYRK2CSNK1ECLK1
SCHEMBL18336161 0.70 AADAT (0.41) AADATMEN1KMT2APOLB
SCHEMBL17678057 0.70 CDK9 (0.47) CDK9DYRK1ADYRK2CSNK1ECLK1
SCHEMBL31330522 0.67 CNR1 (0.41) CNR1CDK9DYRK1ADYRK2CSNK1E
SCHEMBL12933338 0.67 MEN1 (0.51) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL28662671 0.66 CDK4 (0.37) METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 — — EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 — — EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 — — US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 — — US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 — — 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS AADAT 3986/4885CNR1 5/4885CDK9 1972/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885CNR1 5/4885CDK9 2079/4885

“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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