Sugi Predict

Sugi Predict / Compounds / SCHEMBL415863

SCHEMBL415863

SCHEMBL415863

COc1ccc2cc1OCCNC(=O)CN(C)Cc1cccc(c1)Nc1cc(ncn1)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.49
▸ FLT3 P36888 15/20 0.49
▸ JAK2 O60674 12/20 0.49
▸ CCNA2 P20248 12/20 0.49
▸ CCNA1 P78396 12/20 0.49
▸ EGFR P00533 5/20 0.38
▸ JAK1 P23458 5/20 0.35
▸ TYK2 P29597 5/20 0.35
▸ STK10 O94804 2/20 0.35
▸ RET P07949 2/20 0.35
▸ FECH P22830 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ FER P16591 1/20 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
SCHEMBL471043 0.88 CDK2 (0.45) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL10258292 0.85 JAK2 (0.42) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL415865 0.85 EGFR (0.41) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL10258688 0.83 GHSR (0.39) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL416007 0.82 EGFR (0.48) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL463769 0.81 FLT3 (0.40) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL10258190 0.81 FLT3 (0.40) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL414868 0.81 FLT3 (0.40) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL415811 0.81 FLT3 (0.40) CDK2FLT3JAK2CCNA2CCNA1
SCHEMBL413775 0.81 JAK2 (0.40) CDK2FLT3JAK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 — — US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 CDK2 882/4885FLT3 2149/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CDK2 901/4885FLT3 2372/4885JAK2 2841/4885

“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.