SCHEMBL20355866

SCHEMBL20355866

CC(I)Nc1cncnc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ BCAT2 O15382 1/20 0.31

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
SCHEMBL5516162 0.80 TDP1 (0.44) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL28010031 0.70 BCAT2 (0.32) BCAT2
SCHEMBL5508581 0.70 BCAT2 (0.42) BCAT2
SCHEMBL5508575 0.70 BCAT2 (0.42) BCAT2
SCHEMBL28276738 0.69 GAA (0.59) —
SCHEMBL28276739 0.69 GAA (0.59) —
SCHEMBL2160129 0.67 ALDH1A1 (0.41) BCAT2
SCHEMBL2160122 0.67 ALDH1A1 (0.41) BCAT2
SCHEMBL890126 0.67 BCAT2 (0.36) DYRK1ABCAT2
SCHEMBL13863261 0.67 — —

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
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 — — US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 — — 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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CCNA2 1590/4885CDK2 814/4885CCNA1 499/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 CCNA2 1590/4885CDK2 814/4885CCNA1 499/4885

“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.

Send feedback