SCHEMBL735589

SCHEMBL735589

Clc1ncnc2sc3c(c12)CCCC3

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.66
ALDH1A1 P00352 5/20 0.60
MKNK1 Q9BUB5 3/20 0.58
TSHR P16473 1/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 3/20 0.55
DRD2 P14416 1/20 0.54
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.51
FGFR1 P11362 1/20 0.51
PRNP P04156 1/20 0.51
EGFR P00533 2/20 0.51
KDR P35968 2/20 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
SCHEMBL11742 0.97 LIMK1 (0.66) LIMK1ALDH1A1MKNK1TSHRKDM4E
SCHEMBL16751404 0.79 LIMK1 (1.00) LIMK1ALDH1A1TSHRKDM4EGAA
SCHEMBL12407778 0.79 LIMK1 (0.66) LIMK1ALDH1A1MKNK1TSHRKDM4E
SCHEMBL923855 0.79 LIMK1 (0.66) LIMK1ALDH1A1MKNK1TSHRKDM4E
SCHEMBL15140475 0.79 LIMK1 (0.42) LIMK1ALDH1A1MKNK1TSHRKDM4E
SCHEMBL16281231 0.78 LIMK1 (0.67) LIMK1ALDH1A1MKNK1TSHRKDM4E
SCHEMBL1015876 0.78 SIGMAR1 (0.50) DRD2KDR
SCHEMBL6315989 0.78 LIMK1 (0.69) LIMK1ALDH1A1MKNK1TSHRKDM4E
Hydrochloric Acid SCHEMBL17296432 0.76 SIGMAR1 (0.49) DRD2KDR
SCHEMBL14459722 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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263843-A Dopamine D 2 Receptor-like dual ligand compounds and uses thereof 常州大学 2023-12-22 CN disclosed
CN-113979915-B Dopamine D 2 Receptor dual ligand compounds and uses 常州大学 2023-07-25 CN disclosed
CN-113979915-A Dopamine D2Receptor dibit ligand type compound and application 常州大学 2022-01-28 CN disclosed
EP-3233866-B1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2021-04-21 EP disclosed
US-9981981-B2 Tricyclic proteasome activity enhancing compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
US-9981981-B2 Tricyclic proteasome activity enhancing compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
EP-2595993-B1 TRICYCLIC PROTEASOME ACTIVITY ENHANCING COMPOUNDS HARVARD COLLEGE (US) 2018-04-18 EP disclosed
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
EP-2276346-B1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (TW) 2016-11-23 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, 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
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A LIMK1 2778/4885ALDH1A1 1234/4885MKNK1 3378/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A LIMK1 4297/4885ALDH1A1 1336/4885MKNK1 2886/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B LIMK1 3892/4885ALDH1A1 1583/4885MKNK1 2283/4885

“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.