SCHEMBL4419704

SCHEMBL4419704

COC(=O)CNc1ccncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 2/20 0.42
P2RX7 Q99572 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
GRIN2B Q13224 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
EPHX2 P34913 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37

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
SCHEMBL2401814 0.81 P2RX7 (0.44) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL4466178 0.79 P2RX7 (0.47) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL7436411 0.78 GAA (0.51) SMN1; SMN2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL6259328 0.78 SMN1; SMN2 (0.40) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL7494264 0.77 GAA (0.50) SMN1; SMN2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL7436859 0.75 MEN1 (0.49) SMN1; SMN2MEN1KMT2ATSHRCA12
SCHEMBL1643004 0.75 ACACB (0.44) SMN1; SMN2MEN1KMT2ATSHRMKNK1
SCHEMBL8489612 0.74 TOP2A (0.48) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL22111085 0.74 CHRNB2 (0.48) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL21360101 0.72 CYP1A2 (0.57) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20070225495-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7122542-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2006-10-17 US disclosed
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds MIDCAP FINANCIAL TRUST 2005-09-22 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 (3 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-20070225495-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT SMN1; SMN2 2135/4885CYP3A4 3017/4885CYP2D6 2702/4885
US-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT SMN1; SMN2 2135/4885CYP3A4 3017/4885CYP2D6 2702/4885
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds SSB, TYMS, TPMT SMN1; SMN2 2135/4885CYP3A4 3017/4885CYP2D6 2702/4885

“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.