Sugi Predict

Sugi Predict / Compounds / SCHEMBL11742

SCHEMBL11742

SCHEMBL11742

Clc1ncnc2sc3c(c12)CCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 3/20 0.66
▸ ALDH1A1 P00352 10/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ MAPT P10636 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ HTT P42858 7/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MKNK1 Q9BUB5 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ POLB P06746 4/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TDP1 Q9NUW8 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
SCHEMBL735589 0.97 LIMK1 (0.66) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL10343525 0.79 LIMK1 (0.66) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL13644123 0.79 LIMK1 (0.66) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL13644114 0.79 LIMK1 (1.00) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL16274176 0.79 LIMK1 (0.66) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL15140475 0.79 LIMK1 (0.42) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL6315989 0.78 LIMK1 (0.69) LIMK1ALDH1A1KDM4EMAPTGAA
SCHEMBL1015876 0.78 SIGMAR1 (0.50) DRD2
Hydrochloric Acid SCHEMBL17296432 0.76 SIGMAR1 (0.49) DRD2
SCHEMBL17850662 0.76 LIMK1 (0.70) LIMK1ALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4061818-B1 MACROCYCLIC PEPTIDES AS PD-L1 INHIBITORS AND IMMUNOMODULATORS FOR THE TREATMENT OF CANCER AND INFECTIOUS DISEASES BRISTOL MYERS SQUIBB CO (US) 2023-12-06 — — EP disclosed
US-20230022400-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-01-26 — — US disclosed
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 — — 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-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 — — EP disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 — — US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 — — US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 — — US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 — — US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 — — US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 — — US disclosed
EP-2499144-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 — — EP disclosed
WO-2012097013-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-07-19 — — WO disclosed
WO-2011058110-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 — — WO disclosed
EP-1401840-A4 NOVEL 4-AMINO-5,6-SUBSTITUTED THIOPHENO 2,3-D|PYRIMIDINES BAYER CORP (US) 2007-05-16 — — EP disclosed
US-6849638-B2 4-AMINO-5,6-SUBSTITUTED THIOPHENO [2,3-D] PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND THEIR USE IN THE TREATMENT OR PREVENTION OF PDE7B-MEDIATED DISEASES AND CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-01 — — US disclosed
EP-1401840-A1 NOVEL 4-AMINO-5,6-SUBSTITUTED THIOPHENO 2,3-D]PYRIMIDINES Bayer Corporation (US) 2004-03-31 — — EP disclosed
US-20030119829-A1 4-amino-5,6-substituted thiopheno [2,3-d] pyrimidines, pharmaceutical compositions containing the same, and their use in the treatment or prevention of PDE7B-mediated diseases and conditions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-26 — — US disclosed
WO-2002088138-A1 NOVEL 4-AMINO-5,6-SUBSTITUTED THIOPHENO[2,3-D]PYRIMIDINES BAYER CORPORATION (US) 2002-11-07 — — 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-20230022400-A1 IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 LIMK1 2229/4885ALDH1A1 1602/4885KDM4E 940/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 LIMK1 334/4885ALDH1A1 4076/4885KDM4E 522/4885
US-20030119829-A1 4-amino-5,6-substituted thiopheno [2,3-d] pyrimidines, pharmaceutical compositions containing the same, and their use in the treatment or prevention of PDE7B-mediated diseases and conditions PDE7B, PDE4B, PDE7A LIMK1 3167/4885ALDH1A1 1393/4885KDM4E 910/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 LIMK1 334/4885ALDH1A1 4076/4885KDM4E 522/4885

“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.