Sugi Predict

Sugi Predict / Compounds / SCHEMBL14688643

SCHEMBL14688643

SCHEMBL14688643

CN(C)c1ccc(CNc2nc(-c3ccncc3)nn2C(=O)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 10/20 0.80
▸ MAPT P10636 7/20 0.72
▸ F2 P00734 5/20 0.72
▸ RAB9A P51151 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ NPC1 O15118 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ KLK1 P06870 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HTT P42858 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL2550159 0.96 KLKB1 (0.80) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL2557181 0.89 MAPT (0.78) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL14833330 0.89 KLKB1 (1.00) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL14688780 0.89 KLKB1 (0.95) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL14688223 0.89 KLKB1 (0.76) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL14688873 0.89 KLKB1 (0.77) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL2556993 0.89 KLKB1 (0.76) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL2553008 0.89 KLKB1 (0.85) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL14688709 0.87 KLKB1 (0.95) KLKB1MAPTF2RAB9ASMN1; SMN2
SCHEMBL12285021 0.86 KLKB1 (0.85) KLKB1MAPTF2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 — — US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 — — 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 (3 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-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885F2 4/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885F2 4/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885F2 4/4885

“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.