SCHEMBL19966801

SCHEMBL19966801

CC(C)c1ccc2c(c1)NC(=O)[C@H](C)O2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.57
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
SMYD3 Q9H7B4 3/20 0.45
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL16804878 1.00 PARP1 (0.57) PARP1PDE3BPDE3ASMYD3TP53
SCHEMBL6995045 0.81 PARP1 (0.50) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL6994127 0.81 PARP1 (0.50) PARP1PDE3BPDE3ASMYD3HSD17B10
SCHEMBL5670717 0.79 PARP1 (0.62) PARP1PDE3BPDE3ASMYD3BRD4
SCHEMBL10130302 0.79 PARP1 (0.62) PARP1PDE3BPDE3ASMYD3BRD4
SCHEMBL10130365 0.79 PARP1 (0.62) PARP1PDE3BPDE3ASMYD3BRD4
SCHEMBL8194602 0.78 PARP1 (0.61) PARP1PDE3BPDE3ASMYD3MAPT
SCHEMBL2917545 0.78 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL292432 0.78 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL5670852 0.78 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3TP53

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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR PARP1 464/4885PDE3B 561/4885PDE3A 622/4885
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR PARP1 464/4885PDE3B 561/4885PDE3A 622/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR PARP1 464/4885PDE3B 561/4885PDE3A 622/4885

“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.