SCHEMBL6613875

SCHEMBL6613875

CCCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2O)cc1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.47
▸ MAPT P10636 8/20 0.47
▸ SMN1; SMN2 Q16637 8/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL6615036 0.98 MAPT (0.47) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6616734 0.92 RAB9A (0.48) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6615033 0.91 RAB9A (0.44) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6616629 0.88 PLCG1 (0.46) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6687699 0.86 KMT2A (0.48) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6686023 0.86 NPC1 (0.50) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6618493 0.85 NPC1 (0.52) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6688464 0.84 KMT2A (0.48) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6617260 0.84 RAB9A (0.48) RAB9AMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL6618305 0.84 RAB9A (0.48) RAB9AMAPTSMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
US-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them PHARMACIA & UPJOHN SPA (IT) 2004-01-15 — — US claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
US-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them PHARMACIA & UPJOHN SPA (IT) 2004-01-15 — — US disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — 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-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them CNKSR1, CSNK1A1, CDK6 RAB9A 1334/4885MAPT 3418/4885SMN1; SMN2 2142/4885

“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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