SCHEMBL4052229

SCHEMBL4052229

CCn1c(C)nc2cc(Nc3ncc(F)c(N)n3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
RAD52 P43351 1/20 0.50
KMT2A Q03164 2/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CD4 P01730 1/20 0.42
JAK1 P23458 1/20 0.42
HDAC1 Q13547 1/20 0.42
DHFR P00374 5/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL4044156 0.86 SYK (0.44) KMT2AHDAC1DHFRCYP1A2SYK
SCHEMBL4563099 0.82 DHFR (0.37) KDM4EAPOBEC3AAPOBEC3GMAPTHDAC1
SCHEMBL29430433 0.73 SLC2A1 (0.54) RAB9ANPC1CYP1A2SYK
SCHEMBL4469935 0.73 SLC2A1 (0.54) RAB9ANPC1CYP1A2SYK
SCHEMBL13201782 0.72 KDM4E (0.60) KDM4ERAD52KMT2ARAB9ANPC1
SCHEMBL13498443 0.71 AURKA (0.72) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15651104 0.70 SYK (0.51) RAB9ANPC1SMN1; SMN2SYK
SCHEMBL29430389 0.70 AURKA (0.55) RAB9ANPC1HDAC1SMN1; SMN2SYK
SCHEMBL10641373 0.69 KDM4E (0.64) KDM4ERAD52KMT2ARAB9ANPC1
SCHEMBL616998 0.69 KDM4E (0.97) KDM4ERAD52KMT2ARAB9ATDP1

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 5 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-7560466-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-07-14 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 KDM4E 2564/4885RAD52 1162/4885KMT2A 1472/4885
US-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT KDM4E 2564/4885RAD52 1162/4885KMT2A 1472/4885
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds SSB, TYMS, TPMT KDM4E 2564/4885RAD52 1162/4885KMT2A 1472/4885

“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.