SCHEMBL1605652

SCHEMBL1605652

Brc1ccc2[nH]c(-c3cccnc3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.68
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
IDO1 P14902 8/20 0.51
CLK2 P49760 2/20 0.48
CLK3 P49761 2/20 0.48
DYRK1A Q13627 2/20 0.48
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21812408 0.84 CYP19A1 (0.71) CYP19A1CYP11B1CYP11B2IDO1CLK2
SCHEMBL31317820 0.84 CYP19A1 (0.71) CYP19A1CYP11B1CYP11B2IDO1CLK2
SCHEMBL7939806 0.82 CYP19A1 (0.68) CYP19A1CLK2CLK3DYRK1ACDK5
SCHEMBL1605882 0.82 CYP19A1 (0.68) CYP19A1IDO1CLK2CLK3DYRK1A
SCHEMBL1606556 0.82 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2IDO1CLK2
SCHEMBL7946248 0.82 CYP19A1 (0.68) CYP19A1IDO1CLK2CLK3DYRK1A
SCHEMBL29790209 0.81 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CLK2CLK3
SCHEMBL2789486 0.81 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CLK2CLK3
SCHEMBL21812464 0.81 CYP19A1 (0.70) CYP19A1IDO1KDM4EMEN1NPC1
SCHEMBL21812439 0.81 CYP19A1 (0.66) CYP19A1CYP11B1CYP11B2IDO1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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 (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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 68/4885CYP11B1 14/4885CYP11B2 13/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 68/4885CYP11B1 14/4885CYP11B2 13/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 55/4885CYP11B1 15/4885CYP11B2 12/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 55/4885CYP11B1 15/4885CYP11B2 12/4885

“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.