SCHEMBL397539

SCHEMBL397539

CC(=O)n1ccc2ccc(N)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.58
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
CSNK1A1 P48729 1/20 0.45
GSK3A P49840 1/20 0.45
LIMK1 P53667 1/20 0.45
IKBKE Q14164 1/20 0.45
MAPK14 Q16539 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
PRKCI P41743 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41

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
SCHEMBL11962998 1.00 NOTUM (0.58) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL853076 0.86 NOTUM (0.58) NOTUMKDM4EALDH1A1TP53HPGD
Quinoline SCHEMBL27730359 0.83 NOTUM (0.51) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL5631379 0.81 ALDH1A1 (0.40) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL27984179 0.81 CYP11B1 (0.45) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL13726436 0.81 HTR6 (0.39) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL10274544 0.80 NOTUM (0.59) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL23360817 0.79 NOTUM (0.58) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL28409141 0.79 NOTUM (0.58) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL20612446 0.79 NOTUM (0.58) NOTUMKDM4EALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20050282876-A1 Ligands for Inosine-5'-monophosphate dehydrogenase; antiviral, antiinflammatory, antibiotics, transplant rejection, autoimmune disease, , antipsoriatic immunosuppressants; 3-uriedo benzyl carbamate derivatives; high potency, side effects reduction; bioavailability; antivascular hyperproliferative VERTEX PHARMACEUTICALS INCORPORATED 2005-12-22 US disclosed
US-6967214-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-22 US disclosed
US-20030195202-A1 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-10-16 US disclosed
CN-1116288-C Urea derivatives as inosine-5' -monophosphate dehydrogenase inhibitors VERTEX PHARMA (US) 2003-07-30 CN disclosed
US-6541496-B1 Inosine-5'-monophosphate dehydrogenase inhibitors; merimepodib; hepatitis VERTEX PHARMACEUTICALS INCORPORATED 2003-04-01 US disclosed
US-6344465-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE; merimepodib; transplant rejection, autoimmune diseases, multiple sclerosis, juvenile diabetes, asthma, inflammatory diseases, lymphoma or leukemia, and hyperproliferative vascular diseases VERTEX PHARMACEUTICALS, INCORPORATED 2002-02-05 US disclosed
US-6054472-A IMMUNOSUPPRESSION, TREATING TRANSPLANT REJECTION WITH MERIMEPODIB VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-04-25 US disclosed
CN-1219929-A Urea derivatives as inosine-5' -monophosphate dehydrogenase inhibitors VERTEX PHARMA (US) 1999-06-16 CN disclosed
EP-0902782-A1 UREA DERIVATIVES AS INHIBITORS OF IMPDH ENZYME Vertex Pharmaceuticals Incorporated (US) 1999-03-24 EP disclosed
US-5807876-A INOSINE-5'-MONOPHOSPATE DEHYDROGENASE; VIRAL DISEASES, CANCER, VASCULAR DISEASES; MERIMEPODIB VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-09-15 US 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-20030195202-A1 Inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 NOTUM 345/4885KDM4E 1407/4885ALDH1A1 37/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NOTUM 4510/4885KDM4E 4262/4885ALDH1A1 2165/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 NOTUM 1405/4885KDM4E 1372/4885ALDH1A1 4277/4885
US-20050282876-A1 Ligands for Inosine-5'-monophosphate dehydrogenase; antiviral, antiinflammatory, antibiotics, transplant rejection, autoimmune disease, , antipsoriatic immunosuppressants; 3-uriedo benzyl carbamate derivatives; high potency, side effects reduction; bioavailability; antivascular hyperproliferative IMPDH1, IMPDH2, UMPS NOTUM 1277/4885KDM4E 487/4885ALDH1A1 356/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 NOTUM 1405/4885KDM4E 1372/4885ALDH1A1 4277/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 NOTUM 1405/4885KDM4E 1372/4885ALDH1A1 4277/4885

“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.