SCHEMBL20510883

SCHEMBL20510883

c1cc(-n2ccnc2)cc(-n2cnc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.58
HTT P42858 1/20 0.57
CYP3A4 P08684 1/20 0.51
IDO1 P14902 1/20 0.51
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CYP19A1 P11511 1/20 0.48
CYP17A1 P05093 1/20 0.47

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
SCHEMBL16158504 0.90 FGFR1 (0.61) FGFR1HTTCYP3A4IDO1CYP11B1
SCHEMBL2656192 0.86 IDO1 (0.49) FGFR1HTTCYP3A4IDO1CYP11B1
SCHEMBL16158488 0.86 CYP11B1 (0.53) FGFR1HTTCYP3A4CYP11B1CYP11B2
SCHEMBL3417304 0.84 HTT (0.78) FGFR1HTT
SCHEMBL2646699 0.84 KDR (0.54) FGFR1HTTCYP3A4IDO1
SCHEMBL16158503 0.84 FGFR1 (0.57) FGFR1HTTCYP3A4CYP11B1CYP17A1
SCHEMBL2647252 0.84 FGFR1 (0.62) FGFR1CYP3A4IDO1
SCHEMBL17531413 0.83 ABL1 (0.57) FGFR1
SCHEMBL16158427 0.83 KDM4E (0.54) FGFR1HTTCYP3A4CYP17A1
SCHEMBL16158582 0.83 ABL1 (0.57) FGFR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600656-B1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME UNIV MISSISSIPPI STATE (US) 2025-01-15 EP disclosed
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY 2021-06-17 US disclosed
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof MISSISSIPPI STATE UNIVERSITY (US) 2021-02-23 US disclosed
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2020-03-26 US disclosed
CN-110799267-A Asymmetric salt, CCC-NHC pincer-shaped metal complex and preparation method thereof 密西西比州立大学 2020-02-14 CN disclosed
EP-3600656-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME Mississippi State University (US) 2020-02-05 EP disclosed
WO-2018175659-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY (US) 2018-09-27 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-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same NDC1, INO80C, HLCS FGFR1 3393/4885HTT 787/4885CYP3A4 502/4885
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NDC1, INO80C, KCNC1 FGFR1 3369/4885HTT 801/4885CYP3A4 543/4885
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME NDC1, INO80C, KCNC1 FGFR1 3220/4885HTT 687/4885CYP3A4 329/4885
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof NDC1, INO80C, KCNC1 FGFR1 3369/4885HTT 801/4885CYP3A4 543/4885

“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.