SCHEMBL5779124

SCHEMBL5779124

NCc1ccc2ccncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.55
CYP19A1 P11511 2/20 0.54
TBXAS1 P24557 1/20 0.54
PRKCZ Q05513 1/20 0.50
ROCK1 Q13464 2/20 0.49
LOXL2 Q9Y4K0 2/20 0.46
CYP2A6 P11509 4/20 0.44
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
LCK P06239 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL5801109 0.92 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZROCK1
SCHEMBL31472893 0.92 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZROCK1
Hydrochloric Acid SCHEMBL29243533 0.90 CYP19A1 (0.53) MELKCYP19A1TBXAS1PRKCZROCK1
SCHEMBL28044803 0.85 PRKCZ (0.67) MELKCYP19A1TBXAS1PRKCZROCK1
SCHEMBL3821797 0.80 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZIKBKB
SCHEMBL6897234 0.80 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZIKBKB
SCHEMBL3153982 0.80 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZROCK1
SCHEMBL30896286 0.80 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZROCK1
SCHEMBL6042697 0.80 CYP19A1 (0.54) MELKCYP19A1TBXAS1PRKCZROCK1
SCHEMBL6114863 0.80 CYP1A2 (0.55) MELKCYP19A1TBXAS1PRKCZCYP2A6

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
CN-117800909-A Synthetic method of nitrogen-containing aromatic heterocyclic methylamine 北京六合宁远医药科技股份有限公司 2024-04-02 CN claimed
CN-117800909-A Synthetic method of nitrogen-containing aromatic heterocyclic methylamine 北京六合宁远医药科技股份有限公司 2024-04-02 CN disclosed
CN-117800909-A Synthetic method of nitrogen-containing aromatic heterocyclic methylamine 北京六合宁远医药科技股份有限公司 2024-04-02 CN disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US disclosed
EP-1303491-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP Akzo Nobel N.V. (NL) 2003-04-23 EP disclosed
WO-2002004423-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP AKZO NOBEL N.V. (NL) 2002-01-17 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 (1 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN MELK 2725/4885CYP19A1 4340/4885TBXAS1 3567/4885

“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.