SCHEMBL424894

SCHEMBL424894

Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3F)sc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 8/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
L3MBTL1 Q9Y468 2/20 0.73
CHRM4 P08173 3/20 0.68
GAA P10253 2/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KDM4E B2RXH2 2/20 0.63
MAPT P10636 1/20 0.63
ATM Q13315 1/20 0.63
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.60

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
SCHEMBL10016378 0.86 NPC1 (0.76) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL425769 0.86 MEN1 (0.77) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL428619 0.85 MEN1 (1.00) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL19000066 0.84 RAB9A (0.82) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL23695577 0.82 RAB9A (1.00) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL430266 0.81 MEN1 (0.72) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL425768 0.80 RAB9A (0.78) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL13186382 0.80 RAB9A (0.72) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL424850 0.80 NPC1 (0.75) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL14650720 0.80 NPC1 (0.66) NPC1RAB9AMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 US disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
WO-2013019469-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME THE WISTAR INSTITUTE (US) 2013-02-07 WO disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 US disclosed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 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 (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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 NPC1 2091/4885RAB9A 1654/4885MEN1 3284/4885
US-20100196357-A1 Microrna modulators and method for identifying and using the same AGO2, RNASE1, TRDMT1 NPC1 667/4885RAB9A 2435/4885MEN1 1708/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 NPC1 1976/4885RAB9A 1518/4885MEN1 3532/4885
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same AGO2, RNASE1, TRDMT1 NPC1 667/4885RAB9A 2435/4885MEN1 1708/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 NPC1 1976/4885RAB9A 1518/4885MEN1 3532/4885
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 NPC1 667/4885RAB9A 2435/4885MEN1 1708/4885

“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.