SCHEMBL3227643

SCHEMBL3227643

CS(=O)(=O)c1ncc2ccsc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.35
PIP4K2C Q8TBX8 2/20 0.35
TP53 P04637 4/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 3/20 0.34
TLR9 Q9NR96 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
XBP1 P17861 1/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
S1PR4 O95977 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL743402 0.71 MAPK1 (0.39) ALDH1A1MAPTMAPK1HSD17B10SMN1; SMN2
SCHEMBL3233311 0.69 HTR2C (0.42) PIP4K2APIP4K2CTP53NPC1ALDH1A1
SCHEMBL5336326 0.69 PIP4K2A (0.37) PIP4K2APIP4K2CTP53NPC1ALDH1A1
SCHEMBL11202541 0.69 ADORA2A (0.47) PIP4K2APIP4K2CTP53NPC1ALDH1A1
SCHEMBL29994236 0.67 NTRK1 (0.41) ALDH1A1HSD17B10KDM4ENTRK1LTK
SCHEMBL857548 0.67 CLK4 (0.33) ALDH1A1SMN1; SMN2KDM4ENTRK1LTK
SCHEMBL5463111 0.67 NTRK1 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL1160659 0.67 NTRK1 (0.41) ALDH1A1HSD17B10KDM4ENTRK1LTK
SCHEMBL18671569 0.67 NTRK1 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL24175622 0.67 NTRK1 (0.34) HTTNTRK1LTKTYRO3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247409-B2 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-7745449-B2 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20100125074-A1 Thieno-[2,3-d]Pyrimidine and Thieno-Pyridazine Compounds and Methods of Use AMGEN INC. (US) 2010-05-20 US disclosed
EP-2038289-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-03-25 EP disclosed
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
WO-2007124181-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-11-01 WO disclosed
US-7091347-B2 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2006-08-15 US disclosed
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors CHEN JIAN J 2006-04-20 US disclosed
US-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors CHEN JIAN J 2005-12-29 US disclosed
CN-1639168-A Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
EP-1485390-A1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS F. Hoffman-la Roche AG (CH) 2004-12-15 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-11-06 US disclosed
WO-2003074530-A1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-09-12 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-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 PIP4K2A 314/4885PIP4K2C 333/4885TP53 1270/4885
US-20100125074-A1 Thieno-[2,3-d]Pyrimidine and Thieno-Pyridazine Compounds and Methods of Use CDK2, TBXA2R, TBXAS1 PIP4K2A 160/4885PIP4K2C 187/4885TP53 1853/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 PIP4K2A 293/4885PIP4K2C 301/4885TP53 1298/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 PIP4K2A 314/4885PIP4K2C 333/4885TP53 1270/4885

“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.