SCHEMBL1724923

SCHEMBL1724923

Brc1ncc(CN2CCCC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 5/20 0.46
PDE2A O00408 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 5/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL1871497 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PDE2ANPC1LMNA
SCHEMBL13940675 0.87 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1PDE2ANPC1LMNA
SCHEMBL28975291 0.85 NPC1 (0.59) SMN1; SMN2ALDH1A1NPC1LMNARECQL
SCHEMBL32667239 0.84 KDM4E (0.58) SMN1; SMN2ALDH1A1PDE2ANPC1LMNA
SCHEMBL17655385 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPC1LMNARECQL
SCHEMBL9738718 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PDE2ANPC1RECQL
SCHEMBL12654041 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1NPC1LMNARECQL
SCHEMBL1034651 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPC1LMNARECQL
SCHEMBL486699 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1LMNARECQLKMT2A
SCHEMBL11827070 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNARECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491035-B1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-30 EP disclosed
US-9161934-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-9161934-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. 2015-05-07 US disclosed
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. 2015-05-07 US disclosed
US-8962652-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-02-24 US disclosed
US-8962652-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-02-24 US disclosed
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2014-05-08 US disclosed
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2014-05-08 US disclosed
US-8507507-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-08-13 US disclosed
US-8507507-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-2403833-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
WO-2011049825-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-04-28 WO disclosed
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-04-28 US disclosed
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-04-28 US disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO 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 (3 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-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT SMN1; SMN2 2499/4885ALDH1A1 963/4885PDE2A 1801/4885
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT SMN1; SMN2 2499/4885ALDH1A1 963/4885PDE2A 1801/4885
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR6, TLR1 SMN1; SMN2 3912/4885ALDH1A1 4242/4885PDE2A 2672/4885

“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.