SCHEMBL923855

SCHEMBL923855

Oc1ncnc2sc3c(c12)CCCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.66
ALDH1A1 P00352 6/20 0.60
TSHR P16473 1/20 0.57
KDM4E B2RXH2 4/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 4/20 0.55
PRNP P04156 1/20 0.55
DRD2 P14416 1/20 0.54
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CSNK2A2 P19784 2/20 0.52
CSNK2B P67870 2/20 0.52
CSNK2A1 P68400 2/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL16274176 0.97 LIMK1 (0.66) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL12407778 0.79 LIMK1 (0.66) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL735589 0.79 LIMK1 (0.66) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL16751404 0.79 LIMK1 (1.00) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL14115132 0.79 LIMK1 (0.60) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL16281231 0.78 LIMK1 (0.67) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL14781542 0.78 LIMK1 (0.41) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL14115007 0.78 LIMK1 (0.61) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL15533548 0.76 LIMK1 (0.70) LIMK1ALDH1A1TSHRKDM4EMAPT
SCHEMBL15933915 0.76 LIMK1 (0.70) LIMK1ALDH1A1TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
US-9790234-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2017-10-17 US disclosed
US-9790234-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2017-10-17 US disclosed
US-9790234-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2017-10-17 US disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
US-20170081340-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-03-23 US disclosed
US-20170081340-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-03-23 US disclosed
US-20170081340-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-03-23 US disclosed
US-9481687-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-11-01 US disclosed
US-9481687-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-11-01 US disclosed
WO-2009104026-A1 TRICYCLIC BENZO[4,5]THIENO-[2,3-D]PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE VICHEM CHEMIE KUTATÓ KFT (HU) 2009-08-27 WO disclosed
EP-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 US disclosed
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 US disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 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 (4 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A LIMK1 2778/4885ALDH1A1 1234/4885TSHR 148/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A LIMK1 4297/4885ALDH1A1 1336/4885TSHR 72/4885
US-20170081340-A1 IRAK INHIBITORS AND USES THEREOF IRAK4, IRAK2, IRAK1 LIMK1 675/4885ALDH1A1 3138/4885TSHR 3134/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B LIMK1 3892/4885ALDH1A1 1583/4885TSHR 366/4885

“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.