SCHEMBL4992020

SCHEMBL4992020

COc1ccc(I)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 2/20 0.42
THRB P10828 2/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 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
SCHEMBL30548757 1.00 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL7121378 0.82 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL481218 0.80 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL29445512 0.80 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL3459253 0.80 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL30776243 0.80 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL30777888 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL31229124 0.80 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3516667 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3545988 0.80 CA12 (0.46) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116657163-A Method for dithioating o-dihalogenated aromatic hydrocarbon 河南大学 2023-08-29 CN disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2020-02-27 US disclosed
US-10428068-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2019-10-01 US disclosed
US-20190010152-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2019-01-10 US disclosed
US-10035797-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2018-07-31 US disclosed
US-9402832-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2016-08-02 US disclosed
US-20160058742-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2016-03-03 US disclosed
US-9040556-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2015-05-26 US disclosed
US-20140221343-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2014-08-07 US disclosed
US-8586605-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2013-11-19 US disclosed
EP-2069324-B1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2013-07-31 EP disclosed
US-8324240-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2012-12-04 US disclosed
US-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2012-09-20 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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 (13 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-20190010152-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-10428068-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20160058742-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG CA1 4813/4885CA2 4235/4885CA7 4526/4885
US-20140221343-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885
US-10035797-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P CA1 3664/4885CA2 4250/4885CA7 4647/4885

“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.