SCHEMBL12150315

SCHEMBL12150315

CC(C)(C)c1ccc2c(=O)[nH][nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 5/20 0.53
▸ METAP2 P50579 1/20 0.53
▸ KIF11 P52732 5/20 0.49
▸ ALOX5 P09917 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PIM1 P11309 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
SCHEMBL11347457 0.84 KDM4E (0.50) DAOMETAP2KIF11KDM4ERAB9A
SCHEMBL13244957 0.78 KIF11 (0.54) KIF11KDM4ERAB9ACHEK1AURKA
SCHEMBL31369143 0.74 KIF11 (0.65) KIF11KDM4ERAB9AMEN1POLB
SCHEMBL31369133 0.74 KIF11 (0.65) KIF11KDM4ERAB9AMEN1POLB
SCHEMBL3913296 0.74 DAO (0.59) DAOMETAP2KIF11ALOX5KDM4E
SCHEMBL29539315 0.73 KIF11 (0.81) KIF11ALDH1A1MAPT
SCHEMBL2606005 0.73 KIF11 (0.81) KIF11ALDH1A1MAPT
SCHEMBL2054590 0.72 GRIN2D (0.50) KIF11KDM4EMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL30567841 0.71 KIF11 (0.78) KIF11ALDH1A1MAPT
SCHEMBL18021726 0.70 KDM4E (0.59) KIF11KDM4ESMN1; SMN2ALDH1A1MAPT

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-8859529-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2014-10-14 — — US disclosed
US-20110288054-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2011-11-24 — — US disclosed
US-20110288054-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2011-11-24 — — 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-20110288054-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 DAO 1453/4885METAP2 699/4885KIF11 2356/4885

“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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