SCHEMBL2037254

SCHEMBL2037254

Nc1ncnc2nc(-c3cccs3)cc(-c3cc(Br)cs3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 14/20 0.53
▸ PIM1 P11309 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL14635286 0.85 ADK (0.61) ADKCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2038563 0.79 ADK (0.51) ADKCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2038548 0.79 PPARG (0.53) ADKKDM4EHPGDPOLBPPARG
SCHEMBL8143648 0.77 PPARG (0.65) ADKADORA2AADORA1CYP1A2CYP2C9
SCHEMBL8152583 0.76 PPARG (0.57) ADKCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2042670 0.75 ADK (0.55) ADKCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8143071 0.75 ADK (0.52) ADKKDM4EHPGDHSD17B10MEN1
SCHEMBL14635285 0.74 ADK (0.48) ADKCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8143073 0.74 ADK (0.58) ADKKDM4EHPGDHSD17B10MEN1
SCHEMBL2042669 0.73 ADK (0.40) ADKCYP1A2CYP2C9CYP2C19KDM4E

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
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 — — US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 — — EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 — — WO 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP ADK 1/4885PIM1 2721/4885ADORA2A 169/4885

“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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