SCHEMBL5509760

SCHEMBL5509760

c1ccc2c(c1)cc1ccncn12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.39
CYP19A1 P11511 8/20 0.38
MAPT P10636 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
LCK P06239 1/20 0.33
RAD51 Q06609 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2960574 0.74 NCOA3 (0.37) CYP19A1MAPTCYP11B1CYP11B2LMNA
SCHEMBL20508344 0.73 SMN1; SMN2 (0.34) CYP19A1MAPTLMNATP53HPGD
SCHEMBL38659921 0.72 CYP19A1 (0.40) SLC6A2CYP19A1MAPTCYP11B1CYP11B2
SCHEMBL4756741 0.72 CYP19A1 (0.40) SLC6A2CYP19A1MAPTCYP11B1CYP11B2
SCHEMBL4499485 0.72 MAPT (0.38) SLC6A2CYP19A1MAPTLMNA
SCHEMBL4503239 0.72 MAPT (0.41) SLC6A2CYP19A1MAPTCYP11B1CYP11B2
SCHEMBL64923 0.71 ALDH1A1 (0.42) MAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL30307422 0.71 ALDH1A1 (0.42) MAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL1599024 0.71 CYP11B2 (0.47) CYP11B2LCKHPGDHSD17B10
SCHEMBL29505892 0.71 CYP11B2 (0.47) CYP11B2LCKHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920148-B1 PICTET-SPENGLER LIGATION FOR PROTEIN CHEMICAL MODIFICATION UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
US-9605078-B2 Pictet-Spengler ligation for protein chemical modification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-28 US disclosed
US-20150291699-A1 PICTET-SPENGLER LIGATION FOR PROTEIN CHEMICAL MODIFICATION GERAWAN FARMING LLC 2015-10-15 US disclosed
EP-2920148-A1 PICTET-SPENGLER LIGATION FOR PROTEIN CHEMICAL MODIFICATION The Regents of The University of California (US) 2015-09-23 EP disclosed
WO-2014121417-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014078733-A1 PICTET-SPENGLER LIGATION FOR PROTEIN CHEMICAL MODIFICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-22 WO disclosed
EP-1756102-A1 8-PHENOXY-GammaCARBOLINE DERIVATIVES Pharma C S.A. (FR) 2007-02-28 EP disclosed
WO-2005095396-A1 8-PHENOXY-Ϝ CARBOLINE DERIVATIVES PHARMA C S.A. (FR) 2005-10-13 WO disclosed
EP-0072346-B1 AMIDINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1986-04-09 EP disclosed
US-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed
US-4307234-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1981-12-22 US disclosed
US-4307234-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1981-12-22 US disclosed
US-4307234-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1981-12-22 US disclosed
EP-0035474-A1 Amidines, process for their production, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1981-09-09 EP disclosed
EP-0008950-A3 PYRIMIDO(1,6-A)INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES AND THEIR USE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-11 EP disclosed
EP-0008950-A3 PYRIMIDO(1,6-A)INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES AND THEIR USE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-11 EP disclosed
WO-1980000537-A1 PYRIMIDO(1,6-A)INDOLE DERIVATIVES AMERICAN HOME PROD (US) 1980-04-03 WO disclosed
EP-0008950-A2 Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-19 EP disclosed
EP-0008950-A2 Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-19 EP disclosed
EP-0008950-A2 Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-19 EP 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-20150291699-A1 PICTET-SPENGLER LIGATION FOR PROTEIN CHEMICAL MODIFICATION PTMS, SHMT1, OGA SLC6A2 1529/4885CYP19A1 1299/4885MAPT 1429/4885

“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.