SCHEMBL29354552

SCHEMBL29354552

COCCCn1ncc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
KMO O15229 1/20 0.53
RECQL P46063 2/20 0.50
P2RX7 Q99572 1/20 0.48
MAPK1 P28482 2/20 0.47
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
DAO P14920 1/20 0.45
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL5946299 0.90 CYP1A2 (0.57) CYP1A2KMORECQLP2RX7CHRM2
SCHEMBL29351604 0.84 CYP1A2 (0.51) CYP1A2KMORECQLP2RX7CHRM2
SCHEMBL1326630 0.81 CYP1A2 (0.58) CYP1A2KMORECQLP2RX7DAO
SCHEMBL29353786 0.81 KMO (0.57) CYP1A2KMORECQLP2RX7DAO
SCHEMBL91363 0.80 KMO (0.58) KMOMAPK1CHRM2CHRM1ADRA2A
SCHEMBL861732 0.80 CYP1A2 (0.57) CYP1A2KMORECQLP2RX7DAO
SCHEMBL29520989 0.80 RECQL (0.56) CYP1A2KMORECQLP2RX7CHRM2
SCHEMBL319515 0.80 RECQL (0.61) CYP1A2KMORECQLP2RX7DAO
SCHEMBL3779615 0.79 KMO (0.42) CYP1A2KMOMAPK1CHRM2CHRM1
SCHEMBL15649682 0.79 CHEK1 (0.44) KMOMAPK1SMN1; SMN2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CYP1A2 3116/4885KMO 105/4885RECQL 244/4885

“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.