SCHEMBL805203

SCHEMBL805203

c1ccc(Cn2cc(CN(Cc3c[nH]nn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.65
CYP19A1 P11511 9/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL230368 0.87 HSP90AB1 (0.82) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL30959784 0.86 HSP90AB1 (0.80) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL21293881 0.86 HSP90AB1 (0.80) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL29661913 0.80 CNR2 (0.40) HSP90AB1
SCHEMBL18028297 0.80 HSP90AB1 (0.70) HSP90AB1CYP19A1NPC1RAB9A
SCHEMBL10044915 0.79 HSP90AB1 (0.69) HSP90AB1CYP19A1NPC1RAB9AHRH4
Sulfuric Acid SCHEMBL28657977 0.78 HSP90AB1 (0.68) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL15796690 0.78 HDAC1 (0.55) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL15425743 0.77 CYP19A1 (0.67) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL17104470 0.77 CYP19A1 (0.67) HSP90AB1CYP19A1NPC1RAB9AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377759-A Self-purified nucleic acid-encoded libraries 约尔格·谢尔曼 2024-01-09 CN disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-04-15 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
EP-2452936-A1 Compositions and methods for coupling a plurality of compounds to a scaffold The Scripps Research Institute (US) 2012-05-16 EP disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7972994-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2011-07-05 US disclosed
US-20110136697-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
WO-2007053358-A2 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
WO-2007011696-A2 COMPOSITIONS AND METHODS FOR COUPLING A PLURALITY OF COMPOUNDS TO A SCAFFOLD THE SCRIPPS RESEARCH INSTITUTE (US) 2007-01-25 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 (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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT HSP90AB1 1018/4885CYP19A1 3388/4885NPC1 1992/4885
US-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS OTC, MCCC2, CPS1 HSP90AB1 3866/4885CYP19A1 401/4885NPC1 620/4885

“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.