SCHEMBL29430388

SCHEMBL29430388

Nc1ncc(-c2ccc(-c3ncco3)cc2)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 6/20 0.49
▸ LTA4H P09960 1/20 0.43
▸ LCK P06239 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ ADORA1 P30542 3/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA10 Q9GZZ6 1/20 0.35
▸ CHRNA9 Q9UGM1 1/20 0.35
▸ PIN1 Q13526 1/20 0.35

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
SCHEMBL4472861 1.00 DHFR (0.49) DHFRLTA4HLCKKITHPGDS
SCHEMBL29430444 0.85 DHFR (0.57) DHFRHPGDSADORA1ADORA2A
SCHEMBL4468439 0.85 DHFR (0.57) DHFRHPGDSADORA1ADORA2A
SCHEMBL548321 0.80 DHFR (0.44) DHFRLTA4HHPGDSADORA1ADORA2A
SCHEMBL4479622 0.78 ADORA2A (0.41) DHFRLCKKITADORA1ADORA2A
SCHEMBL29430430 0.78 ADORA2A (0.41) DHFRLCKKITADORA1ADORA2A
SCHEMBL29116207 0.76 DHFR (0.61) DHFRADORA1ADORA2AKMT2A
SCHEMBL31612551 0.76 DHFR (0.61) DHFRADORA1ADORA2AKMT2A
SCHEMBL722557 0.75 LTA4H (0.64) LTA4HLCKKITHPGDSCCNC
SCHEMBL2746474 0.74 GLRA3 (0.57) DHFRLCKKITADORA2A

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-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-10 — — 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-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR DHFR 97/4885LTA4H 305/4885LCK 1428/4885

“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.

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