SCHEMBL4712786

SCHEMBL4712786

Nc1ccc(N2CCNC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.56
CRBN Q96SW2 2/20 0.56
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
GFER P55789 4/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL14491992 0.88 DDB1 (0.53) DDB1CRBNMAPTALDH1A1GFER
Hydrochloric Acid SCHEMBL5314439 0.86 DDB1 (0.51) DDB1CRBNMAPTALDH1A1GFER
SCHEMBL4667907 0.83 EIF2AK2 (0.39) DDB1CRBNALDH1A1LMNAKMT2A
SCHEMBL305860 0.83 ALDH1A1 (0.55) DDB1CRBNMAPTALDH1A1GFER
SCHEMBL2300751 0.82 GAA (0.46) DDB1CRBNMAPTALDH1A1LMNA
SCHEMBL3858961 0.82 EIF2AK2 (0.39) DDB1CRBNALDH1A1LMNAKMT2A
SCHEMBL4056377 0.82 GLA (0.41) DDB1CRBNMAPTALDH1A1LMNA
SCHEMBL4626160 0.82 FAAH (0.41) DDB1CRBNALDH1A1LMNAKMT2A
SCHEMBL19604817 0.82 EIF2AK2 (0.39) DDB1CRBNALDH1A1LMNAKMT2A
SCHEMBL2199529 0.82 KMT2A (0.41) DDB1CRBNMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
EP-1626969-A1 HETEROCYCLIC COMPOUNDS Bayer HealthCare AG (DE) 2006-02-22 EP disclosed
CN-1575284-A Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARM INC (US) 2005-02-02 CN disclosed
WO-2004101557-A1 HETEROCYCLIC COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-11-25 WO disclosed
EP-1355889-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-29 EP disclosed
WO-2003035619-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
WO-2002057240-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS ORTHO MC NEIL PHARMACEUTICAL, INC. (US) 2002-07-25 WO disclosed
US-4634713-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1987-01-06 US disclosed
EP-0096006-A2 3-(Ureidocyclohexylamino)-propane-1,2-diol derivatives, process for their preparation, pharmaceutical preparations containing these compounds and their therapeutical use CIBA-GEIGY AG (CH) 1983-12-07 EP disclosed
US-4058397-A ELECTROGRAPHY, DISAZO DYE, COPPER TETRA-4-(OCTADECYL SULFONAMIDO) PHTHALOCYANINE XEROX CORPORATION (US) 1977-11-15 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 (5 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-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C DDB1 1500/4885CRBN 3068/4885MAPT 4241/4885
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 DDB1 2260/4885CRBN 306/4885MAPT 4056/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C DDB1 1500/4885CRBN 3068/4885MAPT 4241/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C DDB1 1500/4885CRBN 3068/4885MAPT 4241/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 DDB1 565/4885CRBN 183/4885MAPT 3877/4885

“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.