SCHEMBL3483183

SCHEMBL3483183

COc1ncnc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
MAPT P10636 2/20 0.39
APLNR P35414 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 2/20 0.36
TOP1 P11387 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRMT5 O14744 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GMNN O75496 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
SCHEMBL21808761 0.81 RAB9A (0.49) EGFRMAPTRAB9ANPC1L3MBTL1
SCHEMBL13454691 0.74 HSP90AA1 (0.45) EGFRMAPTNPC1L3MBTL1TSHR
SCHEMBL30223271 0.74 MEN1 (0.44) MAPTAPLNRPDGFRBPDGFRACYP1A2
SCHEMBL15638188 0.73 TGFBR1 (0.41) RAB9ANPC1L3MBTL1MAP4K4BTK
SCHEMBL26967977 0.73 MEN1 (0.50) TSHRALDH1A1MAP4K4CYP3A4TDP1
SCHEMBL30117773 0.72 RAB9A (0.56) EGFRMAPTRAB9ANPC1L3MBTL1
SCHEMBL7053228 0.72 RAB9A (0.56) EGFRMAPTRAB9ANPC1L3MBTL1
SCHEMBL8585181 0.72 MAPT (0.46) EGFRMAPTRAB9ANPC1L3MBTL1
SCHEMBL4255718 0.72 EGFR (0.50) EGFRMAPTPDGFRARAB9ANPC1
SCHEMBL15367470 0.71 EGFR (0.35) EGFRRAB9ANPC1L3MBTL1TSHR

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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH EGFR 2474/4885MAPT 618/4885APLNR 331/4885

“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.