SCHEMBL21138141

SCHEMBL21138141

CC(C)C1CCCCN1c1nnc2c(N)nccn12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.37
SMARCA2 P51531 2/20 0.37
SMARCA4 P51532 2/20 0.37
PBRM1 Q86U86 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
TLR7 Q9NYK1 2/20 0.34
AHCY P23526 1/20 0.33
TNK2 Q07912 1/20 0.32
PTPN11 Q06124 3/20 0.31
NUDT1 P36639 1/20 0.30

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
SCHEMBL21138380 0.85 PTPN11 (0.31) NR1I2SMARCA2SMARCA4PBRM1PTPN11
SCHEMBL21138133 0.84 ALDH1A1 (0.42) NR1I2SMARCA2SMARCA4PBRM1ADORA3
SCHEMBL21138230 0.84 ALDH1A1 (0.42) NR1I2SMARCA2SMARCA4PBRM1ADORA3
SCHEMBL21057262 0.84 ALDH1A1 (0.42) NR1I2SMARCA2SMARCA4PBRM1ADORA3
SCHEMBL21159348 0.82 MEN1 (0.41) NR1I2SMARCA2SMARCA4PBRM1ADORA3
SCHEMBL19917131 0.81 NR1I2 (0.37) NR1I2SMARCA2SMARCA4PBRM1ADORA3
SCHEMBL21057507 0.79 TLR7 (0.36) ADORA3TLR7AHCYTNK2PTPN11
SCHEMBL21138232 0.78 ADORA3 (0.36) ADORA3AHCYTNK2PTPN11NUDT1
SCHEMBL21057266 0.78 ADORA3 (0.38) PBRM1ADORA3TLR7AHCYPTPN11
SCHEMBL21138748 0.76 NUDT1 (0.39) ADORA3TNK2PTPN11NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A NR1I2 2630/4885SMARCA2 3684/4885SMARCA4 3202/4885

“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.