SCHEMBL1090972

SCHEMBL1090972

[c]1nnc(-c2cc3ccccc3nn2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GPR3 P46089 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TERT O14746 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1919380 0.80 RAB9A (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4870462 0.76
SCHEMBL5483645 0.76 ALDH1A1 (0.55) KDM4EGPR3ALDH1A1GLAMAPT
SCHEMBL31115164 0.76 ALDH1A1 (0.55) KDM4EGPR3ALDH1A1GLAMAPT
SCHEMBL2459241 0.76 NPC1 (0.41) KDM4EGPR3ALDH1A1MAPTHPGD
SCHEMBL6247283 0.76 KDM4E (0.41) KDM4EGPR3ALDH1A1GLAMAPT
SCHEMBL317014 0.75 GPR3 (0.41) KDM4EGPR3ALDH1A1GLAMAPT
SCHEMBL31268563 0.73 HTR2C (0.43) KDM4EGPR3ALDH1A1GLAMAPT
SCHEMBL184194 0.72 KDM4E (0.38) KDM4EGPR3ALDH1A1GLAMAPT
SCHEMBL18806848 0.70 KDM4E (0.48) KDM4EGPR3ALDH1A1GLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501804-A 2007-02-01 JP claimed
EP-1673357-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-28 EP claimed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US claimed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US claimed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO claimed
US-10989710-B2 Identifying new therapeutic agents Revolution Medicines, Inc. (US) 2021-04-27 US disclosed
US-20190271691-A1 IDENTIFYING NEW THERAPEUTIC AGENTS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2019-09-05 US disclosed
US-9452215-B2 Bourvadin derivatives and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2016-09-27 US disclosed
US-20160271098-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM EBERHARD-KARLS-UNIVERSITAT TUBINGEN UNIVERSITATSKLINIKUM (DE) 2016-09-22 US disclosed
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO 2015-08-27 US disclosed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
EP-2327701-A1 Heteroarylaminosulfonylphenyl derivatives for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-01 EP disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
EP-1673357-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-28 EP disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
US-4820842-A 2-substituted-1,4-dihydropyridines WARNER-LAMBERT COMPANY (US) 1989-04-11 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 (6 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-20160271098-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM SLC6A1, SLC6A11, SLC6A13 KDM4E 3398/4885GPR3 746/4885ALDH1A1 1244/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885GPR3 1346/4885ALDH1A1 2811/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885GPR3 1346/4885ALDH1A1 2811/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885GPR3 1346/4885ALDH1A1 2811/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885GPR3 1346/4885ALDH1A1 2811/4885
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF RPL27, EIF4E, RPL30 KDM4E 526/4885GPR3 3576/4885ALDH1A1 3270/4885

“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.