SCHEMBL5530202

SCHEMBL5530202

CCCn1c2ccccc2c2nc3ccccc3nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 1.00
MAPT P10636 6/20 1.00
CASP1 P29466 5/20 1.00
CASP7 P55210 5/20 1.00
POLB P06746 5/20 1.00
USP2 O75604 4/20 1.00
MAPK1 P28482 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
LMNA P02545 2/20 1.00
ALOX15 P16050 2/20 1.00
HSD17B10 Q99714 5/20 0.77
L3MBTL1 Q9Y468 5/20 0.77
KDM4E B2RXH2 4/20 0.77
ALDH1A1 P00352 4/20 0.77
NPC1 O15118 3/20 0.77
HCRTR1 O43613 1/20 0.77
TP53 P04637 1/20 0.77
GAA P10253 2/20 0.72
RAB9A P51151 2/20 0.72
RAD52 P43351 1/20 0.72

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
SCHEMBL5527836 0.91 TSHR (0.83) TSHRMAPTCASP1CASP7POLB
SCHEMBL16084877 0.88 TSHR (0.78) TSHRMAPTCASP1CASP7POLB
SCHEMBL5524713 0.87 MAPT (1.00) TSHRMAPTCASP1CASP7POLB
SCHEMBL15289657 0.84 TSHR (0.72) TSHRMAPTCASP1CASP7POLB
SCHEMBL9706282 0.84 TSHR (0.72) TSHRMAPTCASP1CASP7POLB
SCHEMBL13889180 0.84 POLB (1.00) TSHRMAPTCASP1CASP7POLB
SCHEMBL9706276 0.83 POLB (0.75) TSHRMAPTCASP1CASP7POLB
Hydrochloric Acid SCHEMBL9436868 0.83 TSHR (0.70) TSHRMAPTCASP1CASP7POLB
SCHEMBL13165175 0.83 TSHR (0.70) TSHRMAPTCASP1CASP7POLB
SCHEMBL9706178 0.81 TSHR (0.68) TSHRMAPTCASP1CASP7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION 2016-01-21 US disclosed
US-9220715-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2015-12-29 US disclosed
US-9119822-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2015-09-01 US disclosed
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders OMEROS CORPORATION (US) 2014-06-26 US disclosed
US-8637528-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2014-01-28 US disclosed
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2013-10-10 US disclosed
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 US disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 US disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 US disclosed
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 US disclosed
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-05-06 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 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 (9 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-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A TSHR 1528/4885MAPT 3149/4885CASP1 3578/4885
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A TSHR 1528/4885MAPT 3149/4885CASP1 3578/4885
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A TSHR 2222/4885MAPT 1951/4885CASP1 4458/4885
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders PARK7, PDE7B, PDE7A TSHR 2222/4885MAPT 1951/4885CASP1 4458/4885
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C TSHR 4049/4885MAPT 3911/4885CASP1 3830/4885
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A TSHR 1528/4885MAPT 3149/4885CASP1 3578/4885
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A TSHR 2222/4885MAPT 1951/4885CASP1 4458/4885
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C TSHR 4049/4885MAPT 3911/4885CASP1 3830/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE TSHR 4778/4885MAPT 2025/4885CASP1 3767/4885

“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.