SCHEMBL4932061

SCHEMBL4932061

CC(C)Oc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADORA2A P29274 7/20 0.38
▸ KCNH2 Q12809 6/20 0.36
▸ CYP2C8 P10632 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MET P08581 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ JAK2 O60674 1/20 0.30

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
SCHEMBL2833335 0.76 IDH1 (0.36) MAPTHTTMAPK1NPSR1L3MBTL1
SCHEMBL4019944 0.76 IDH1 (0.36) MAPTHTTMAPK1NPSR1L3MBTL1
SCHEMBL2833339 0.76 IDH1 (0.36) MAPTHTTMAPK1NPSR1L3MBTL1
SCHEMBL4935623 0.73 LMNA (0.42) MAPTHTTL3MBTL1CYP2C9CYP1A2
SCHEMBL6078838 0.72 MAPT (0.34) MAPTHTTMAPK1NPSR1L3MBTL1
SCHEMBL4938646 0.72 CNR1 (0.33) LMNAJAK2
SCHEMBL4939489 0.71 LMNA (0.33) NPSR1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4025182 0.70 ADORA2A (0.39) MAPTHTTMAPK1NPSR1L3MBTL1
SCHEMBL2546230 0.69 ADORA2A (0.60) HTTADORA2AKCNH2ADORA3ADORA2B
SCHEMBL5164507 0.67 NPC1 (0.34) MAPK1ADORA2AADORA3ADORA1HPGD

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-20080132522-A1 2-Substituted Pyrimidines, Method for Their Production and Their Use for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 — — US disclosed
EP-1768972-A1 2-SUBSTITUTED PYRIMIDINES, METHOD FOR THEIR PRODUCTION AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-04-04 — — EP disclosed
WO-2006005571-A1 2-SUBSTITUTED PYRIMIDINES, METHOD FOR THEIR PRODUCTION AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-01-19 — — 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-20080132522-A1 2-Substituted Pyrimidines, Method for Their Production and Their Use for Controlling Pathogenic Fungi TYMS, TYMP, PNPO MAPT 3172/4885HTT 3837/4885MAPK1 3695/4885

“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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