SCHEMBL14688331

SCHEMBL14688331

Nc1nc(-c2cccnc2)nn1C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 7/20 1.00
F2 P00734 10/20 0.79
MAPT P10636 4/20 0.79
KMT2A Q03164 4/20 0.79
KLK7 P49862 3/20 0.79
KLK5 Q9Y337 2/20 0.79
KLK14 Q9P0G3 1/20 0.79
ST14 Q9Y5Y6 1/20 0.79
EGFR P00533 1/20 0.74
TUBB4A P04350 1/20 0.74
TUBB P07437 1/20 0.74
TUBA3C P0DPH7 1/20 0.74
TUBA1B P68363 1/20 0.74
TUBA4A P68366 1/20 0.74
TUBB4B P68371 1/20 0.74
TUBB3 Q13509 1/20 0.74
TUBB2A Q13885 1/20 0.74
TUBB8 Q3ZCM7 1/20 0.74
TUBA3E Q6PEY2 1/20 0.74
TUBA1A Q71U36 1/20 0.74

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
SCHEMBL2561654 0.88 F2 (1.00) F12F2MAPTKMT2AKLK7
SCHEMBL2554237 0.87 F12 (0.76) F12F2MAPTKMT2AKLK7
SCHEMBL14688964 0.85 F12 (0.73) F12F2MAPTKMT2AKLK7
SCHEMBL2568934 0.81 F2 (1.00) F12F2MAPTKMT2AKLK7
SCHEMBL2567843 0.78 KLK3 (0.67) F12F2MAPTKMT2AKLK7
SCHEMBL14688640 0.76 F12 (0.82) F12F2
SCHEMBL2553179 0.76 MAPT (0.81) F2MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1248065 0.75 JAK1 (0.64) F12F2MAPTHSD17B10
SCHEMBL2553684 0.75 KLKB1 (0.83) F2MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1251048 0.75 F2 (0.60) F12F2MAPTKMT2AKLK7

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
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2017-11-16 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-09-08 US disclosed
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-19 US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 US disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 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 (7 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-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885F2 4/4885MAPT 1854/4885

“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.