Thiophene

Thiophene

SCHEMBL357409

NC(=O)c1ncccn1.c1ccsc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
LIMK1 P53667 3/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
PARP1 P09874 2/20 0.36
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SARM1 Q6SZW1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
SCHEMBL158178 0.86
Ammonia Solution, Strong SCHEMBL17104818 0.84 P2RX7 (0.52) P2RX7LIMK1IKBKBCHUKPARP1
SCHEMBL27431959 0.84 P2RX7 (0.52) P2RX7LIMK1IKBKBCHUKPARP1
Hydrochloric Acid SCHEMBL27440453 0.84 P2RX7 (0.52) P2RX7LIMK1IKBKBCHUKPARP1
Bromide SCHEMBL10718877 0.84 P2RX7 (0.52) P2RX7LIMK1IKBKBCHUKPARP1
Hydrochloric Acid SCHEMBL25337662 0.84 P2RX7 (0.52) P2RX7LIMK1IKBKBCHUKPARP1
Thiophene SCHEMBL359923 0.80 NAPRT (0.40) P2RX7KDM4ECTNNB1WNT3ATSHR
Thiophene SCHEMBL1217550 0.76 CES2 (0.53) KDM4ECTNNB1ADORA3TSHRMC4R
Pyridine SCHEMBL1880098 0.76 P2RX7 (0.45) P2RX7PARP1MKNK1MKNK2CTNNB1
Pyrrole SCHEMBL985895 0.74 P2RX7 (0.48) P2RX7LIMK1IKBKBCHUKPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-9987280-B2 SIRT1 inhibitors and stem cell rejuvenation CITY OF HOPE (US) 2018-06-05 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20150044184-A1 SIRT1 INHIBITORS AND STEM CELL REJUVENATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 P2RX7 254/4885LIMK1 538/4885IKBKB 46/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 P2RX7 254/4885LIMK1 538/4885IKBKB 46/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 P2RX7 254/4885LIMK1 538/4885IKBKB 46/4885
US-20150044184-A1 SIRT1 INHIBITORS AND STEM CELL REJUVENATION SIRT1, SIRT2, SIRT3 P2RX7 3889/4885LIMK1 2783/4885IKBKB 362/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 P2RX7 254/4885LIMK1 538/4885IKBKB 46/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 P2RX7 254/4885LIMK1 538/4885IKBKB 46/4885

“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.