SCHEMBL20255696

SCHEMBL20255696

OCC1CN(c2ccc(I)nn2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OGA O60502 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ PDE10A Q9Y233 7/20 0.33
▸ CHRNA7 P36544 3/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32

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
SCHEMBL20038256 0.87 MAP4K4 (0.41) CHRNB2CHRNA4MAP4K4PDE10ACHRNB4
SCHEMBL20255203 0.83 PDE10A (0.40) KMT2AOGAPDE10A
SCHEMBL20037726 0.79 MAP4K4 (0.39) CHRNB2CHRNA4KMT2AMAP4K4PDE10A
SCHEMBL23603294 0.79 CHRNB2 (0.57) CHRNB2CHRNA4KMT2ACHRNB4CHRNA3
SCHEMBL18291295 0.79 NR1I2 (0.46) CHRNB2CHRNA4KMT2AOGAPDE10A
SCHEMBL20249344 0.76 KMT2A (0.36) CHRNB2CHRNA4KMT2AMAP4K4PDE10A
SCHEMBL24735600 0.75 PDE10A (0.41) MAP4K4PDE10A
SCHEMBL20255570 0.75 CHRNA7 (0.37) CHRNB2CHRNA4KMT2AOGACHRNA7
SCHEMBL20038224 0.71 CHRNB2 (0.38) CHRNB2CHRNA4OGAPDE10ACHRNB4
SCHEMBL20038000 0.71 CHRNB2 (0.38) CHRNB2CHRNA4OGAPDE10ACHRNB4

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 — — 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CHRNB2 4863/4885CHRNA4 4628/4885KMT2A 670/4885

“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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