SCHEMBL20355865

SCHEMBL20355865

CC(I)Nc1ccncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.37
▸ CCNA2 P20248 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CCNA1 P78396 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MKNK1 Q9BUB5 3/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ SCN1A P35498 3/20 0.35
▸ SCN5A Q14524 3/20 0.35
▸ SCN8A Q9UQD0 3/20 0.35

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
SCHEMBL5555518 0.83 HCAR3 (0.42) KDRCCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL26698946 0.76 — —
SCHEMBL23415410 0.76 LPAR1 (0.42) KDRCCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL28081381 0.75 KDR (0.39) KDRCCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL2054005 0.74 MAPKAPK2 (0.55) CYP3A4CYP2D6CYP2C9MAPKAPK2PIK3CD
SCHEMBL7511795 0.74 CHRNB2 (0.42) KDRLPAR1MKNK1MAPKAPK2PIK3CD
SCHEMBL30593394 0.74 LPAR1 (0.41) KDRCCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL1160955 0.74 MAPKAPK2 (0.55) CYP3A4CYP2D6CYP2C9MAPKAPK2PIK3CD
SCHEMBL7429834 0.74 CHRNB2 (0.42) KDRLPAR1MKNK1MAPKAPK2PIK3CD
SCHEMBL20025127 0.73 FDPS (0.50) SMN1; SMN2CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 — — US disclosed
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 KDR 2428/4885CCNA2 1590/4885CDK2 814/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 KDR 2428/4885CCNA2 1590/4885CDK2 814/4885

“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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