SCHEMBL12778358

SCHEMBL12778358

CC(C)(C)OC(=O)CC(O)(c1ccccc1)c1ccnc(-c2ccccc2)c1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ TOP2A P11388 1/20 0.36
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ AR P10275 1/20 0.34
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL13321789 0.80 PDK1 (0.34) MEN1KMT2A
SCHEMBL8691978 0.79 ALDH1A1 (0.40) POLBADORA1KDM4EARCYP2C19
SCHEMBL13321788 0.76 LMNA (0.34) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2079443 0.74 FPR2 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL2079067 0.74 ABL1 (0.34) ALDH1A1
SCHEMBL2080175 0.74 DGAT2 (0.39) FLT1MEN1KMT2A
SCHEMBL2081557 0.73 CCNT1 (0.34) KDRLMNAMEN1KMT2AHPGD
SCHEMBL4504278 0.70 CETP (0.49) KDM4ECYP3A4CYP2C19NPC1TP53
SCHEMBL12778359 0.68 POLB (0.47) POLBTOP2AFLT1KDRTEK
SCHEMBL11907830 0.66 L3MBTL1 (0.39) POLBKDM4ECYP1A2CYP3A4CYP2C9

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
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 — — US disclosed
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 — — US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 — — US disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 — — 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 (2 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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 POLB 1213/4885TOP2A 702/4885FLT1 3148/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 POLB 430/4885TOP2A 378/4885FLT1 2726/4885

“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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