SCHEMBL19064530

SCHEMBL19064530

CSc1ccc2c(c1)c(CCN)c(C)n2Cc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
PTGS2 P35354 3/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G2A P14555 5/20 0.44
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL19064528 0.89 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19PTGS2
SCHEMBL19064549 0.88 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL19088135 0.87 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19PTGS2
SCHEMBL1806715 0.86 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL19064543 0.83 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL861655 0.81 PTGS2 (0.69) CYP1A2CYP3A4CYP2C19PTGS2KDM4E
SCHEMBL16027044 0.80 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL19064533 0.79 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL19064529 0.79 CYP1A2 (0.98) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL19064532 0.78 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS UNIV NEW YORK STATE RES FOUND (US) 2022-01-27 US disclosed
EP-3397254-B1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER UNIV NEW YORK STATE RES FOUND (US) 2021-10-27 EP disclosed
EP-3397254-B1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER UNIV NEW YORK STATE RES FOUND (US) 2021-10-27 EP disclosed
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer SYRACUSE UNIVERSITY (US) 2020-08-11 US disclosed
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer SYRACUSE UNIVERSITY (US) 2020-08-11 US disclosed
EP-3397254-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER The Research Foundation for The State University of New York (US) 2018-11-07 EP disclosed
WO-2017117581-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-07-06 WO disclosed
WO-2017117581-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-07-06 WO disclosed
US-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-07-06 US disclosed
US-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-07-06 US disclosed
US-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-07-06 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-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER TPH1, INPP5B, INPP5D CYP1A2 4798/4885CYP3A4 4809/4885CYP2D6 4488/4885
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer TPH1, INPP5B, INPP5D CYP1A2 4798/4885CYP3A4 4809/4885CYP2D6 4488/4885
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS LPCAT3, PLAAT2, PLA2G4B CYP1A2 4877/4885CYP3A4 4884/4885CYP2D6 4879/4885

“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.