SCHEMBL3433488

SCHEMBL3433488

O=C(NCc1cccc2ccccc12)c1cnc(-n2cccn2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP2C9 P11712 2/20 0.46
EGLN1 Q9GZT9 3/20 0.44
ADORA2A P29274 3/20 0.44
MERTK Q12866 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
ADORA1 P30542 2/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
GAS6 Q14393 1/20 0.40
F12 P00748 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
SCHEMBL14812170 0.83 EGLN1 (0.40) EGLN1ADORA2AMERTKKDM4EPKM
SCHEMBL3431105 0.83 EGLN1 (0.55) EGLN1MERTKKMT2A
SCHEMBL4527994 0.82 EGLN1 (0.64) EGLN1ADORA2AMERTKKDM4E
SCHEMBL3407244 0.81 EGLN1 (0.51) EGLN1MERTKKDM4EHSD17B10FLT3
SCHEMBL3430237 0.81 EGLN1 (0.51) CYP2C9EGLN1MERTKKDM4EFLT3
SCHEMBL3409246 0.81 EGLN1 (0.64) CYP2C9EGLN1MERTKKDM4E
SCHEMBL16005776 0.81 EGLN1 (0.52) EGLN1MERTKFLT3TYRO3GAS6
SCHEMBL3408185 0.81 EGLN1 (0.52) EGLN1MERTKKDM4EFLT3TYRO3
SCHEMBL4538093 0.80 EGLN1 (0.52) EGLN1MERTKGAA
SCHEMBL3430517 0.80 TSHR (0.50) EGLN1KDM4EPKMHSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP claimed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US claimed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US claimed
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 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-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides HIF1AN, EGLN2, EGLN3 CHRNB2 4868/4885CHRNA4 4803/4885CYP2C9 1385/4885

“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.