SCHEMBL2496663

SCHEMBL2496663

Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.59
SIGMAR1 Q99720 6/20 0.56
ABL1 P00519 1/20 0.54
PDGFRB P09619 4/20 0.53
YES1 P07947 1/20 0.53
EPHB4 P54760 1/20 0.53
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NEK1 Q96PY6 1/20 0.49
NAMPT P43490 1/20 0.49

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
SCHEMBL5440594 0.86 SIGMAR1 (0.54) SRCSIGMAR1PDGFRBYES1EPHB4
SCHEMBL2500700 0.85 KDM4E (0.65) SRCSIGMAR1PDGFRBYES1EPHB4
SCHEMBL6219889 0.82 SRC (0.53) SRCSIGMAR1ABL1PDGFRBYES1
SCHEMBL2492457 0.81 SRC (0.49) SRCABL1PDGFRB
SCHEMBL5438202 0.81 SIGMAR1 (0.73) SIGMAR1KDM4ELMNAGAAMAPT
SCHEMBL3516689 0.80 IKBKB (0.73) SRCABL1PDGFRBYES1EPHB4
SCHEMBL2498497 0.80 SRC (0.56) SRCABL1PDGFRBYES1EPHB4
SCHEMBL4769081 0.80 SIGMAR1 (0.74) SIGMAR1KDM4ELMNAGAAMAPT
Hydrochloric Acid SCHEMBL10853327 0.80 SIGMAR1 (0.71) SIGMAR1KDM4ELMNAGAAMAPT
SCHEMBL5443873 0.79 SRC (0.56) SRCABL1PDGFRBYES1EPHB4

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-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK SRC 2/4885SIGMAR1 2661/4885ABL1 12/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 SRC 5/4885SIGMAR1 2139/4885ABL1 6/4885

“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.