SCHEMBL3838005

SCHEMBL3838005

CC(=O)N1C[CH]c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.49
HSD17B3 P37058 5/20 0.47
BRD4 O60885 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL18228213 0.81 NOTUM (0.54) NOTUMHSD17B3BRD4CYP2D6CYP2C9
SCHEMBL1477941 0.81 NOTUM (0.46) NOTUMHSD17B3
SCHEMBL859611 0.81 LMNA (0.48) NOTUMHSD17B3
SCHEMBL9183671 0.80 P2RX4 (0.53) NOTUM
SCHEMBL4798373 0.73 HSD17B3 (0.71) NOTUMHSD17B3
SCHEMBL7713210 0.73 NOTUM (0.49) NOTUMHSD17B3
SCHEMBL4798382 0.73 HSD17B3 (0.71) NOTUMHSD17B3
SCHEMBL6197218 0.69 NOTUM (0.57) NOTUMHSD17B3BRD4
SCHEMBL6198391 0.69 HSD17B3 (0.53) NOTUMHSD17B3BRD4
SCHEMBL2193457 0.69 NOTUM (0.57) NOTUMHSD17B3BRD4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US claimed
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP claimed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP claimed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2011-12-08 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20090105285-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2009-04-23 US disclosed
EP-2023956-A2 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR Novartis AG (CH) 2009-02-18 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
WO-2007131689-A2 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2007-11-22 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 (4 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-20090105285-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR BRAF, RAF1, MTOR NOTUM 3906/4885HSD17B3 3135/4885BRD4 1046/4885
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF NOTUM 2783/4885HSD17B3 1699/4885BRD4 403/4885
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE RAF1, BRAF, ARAF NOTUM 3690/4885HSD17B3 4256/4885BRD4 303/4885
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR BRAF, RAF1, MTOR NOTUM 3906/4885HSD17B3 3135/4885BRD4 1046/4885

“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.