SCHEMBL1169735

SCHEMBL1169735

Brc1cccc2nn(Cc3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
MPO P05164 1/20 0.45
ADORA3 P0DMS8 5/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
GRM2 Q14416 2/20 0.41
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
PARP1 P09874 1/20 0.40
HTR2C P28335 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1B1 Q16678 1/20 0.38
CYP19A1 P11511 3/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL1850061 0.87 SMN1; SMN2 (0.41) HDAC8MPOADORA3ADORA2AL3MBTL1
SCHEMBL1852868 0.86 GRM2 (0.45) HDAC8MPOGRM2KCNH2
SCHEMBL1855398 0.86 NOS1 (0.55) HDAC8MPOADORA3ADORA2AADORA1
SCHEMBL3222034 0.84 L3MBTL1 (0.49) HDAC8ADORA3ADORA2AADORA1GRM2
SCHEMBL17221449 0.83 HDAC1 (0.46) HDAC8
SCHEMBL11155364 0.82 MPO (0.46) HDAC8MPOADORA3ADORA2AADORA1
SCHEMBL1169684 0.82 MPO (0.46) MPOADORA3ADORA2AADORA1TGFBR1
SCHEMBL4792680 0.82 MPO (0.46) MPOADORA3ADORA2AADORA1TGFBR1
SCHEMBL24879334 0.81 ADORA3 (0.42) MPOADORA3ADORA2AADORA1TGFBR1
SCHEMBL4791000 0.81 ADORA3 (0.45) MPOADORA3ADORA2AADORA1TGFBR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519186-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype 1 (VR1) receptors ABBVIE INC. (US) 2013-08-27 US disclosed
US-8519186-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype 1 (VR1) receptors ABBVIE INC. (US) 2013-08-27 US disclosed
US-8519186-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype 1 (VR1) receptors ABBVIE INC. (US) 2013-08-27 US disclosed
CN-102775350-A Process for the preparation of indazolyl ureas that inhibit vanilloid subtype 1 (VR1) receptors ABBOTT LAB 2012-11-14 CN disclosed
EP-2012779-B1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LAB (US) 2012-05-16 EP disclosed
CN-101466374-B Methods for preparing indazolyl ureas that inhibit vanilloid subtype 1(VR1) receptor ABBOTT LAB 2012-03-21 CN disclosed
CN-102321025-A Preparation suppresses the method for the indazolyl urea of vanilloid subtype type 1 (VR1) acceptor ABBOTT LAB 2012-01-18 CN disclosed
CN-102140081-A Process for the preparation of indazolyl ureas that inhibit vanilloid subtype 1 (VR1) receptors ABBOTT LAB 2011-08-03 CN disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
US-20110040102-A1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2011-02-17 US disclosed
US-7847104-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype1 (VR1) receptors ABBOTT LABORATORIES (US) 2010-12-07 US disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
CN-101466374-A Methods for preparing indazolyl ureas that inhibit vanilloid subtype 1(VR1) receptor ABBOTT LAB (US) 2009-06-24 CN disclosed
EP-2012779-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS Abbott Laboratories (US) 2009-01-14 EP disclosed
WO-2007121339-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2007-10-25 WO disclosed
WO-2007121339-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2007-10-25 WO disclosed
US-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors ABBVIE INC. 2007-10-18 US disclosed
US-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors ABBVIE INC. 2007-10-18 US disclosed
US-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors ABBVIE INC. 2007-10-18 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 (3 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 HDAC8 573/4885MPO 3078/4885ADORA3 591/4885
US-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors UTS2R, VIPR1, VRK1 HDAC8 3537/4885MPO 4658/4885ADORA3 291/4885
US-20110040102-A1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS UTS2R, VIPR1, VRK1 HDAC8 3490/4885MPO 4616/4885ADORA3 295/4885

“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.