SCHEMBL16263160

SCHEMBL16263160

CC(C)(C)Cn1cc(-c2cnc3ccccc3c2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PDGFRB P09619 3/20 0.41
▸ PDGFRA P16234 3/20 0.41
▸ MET P08581 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BIRC5 O15392 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ GGPS1 O95749 1/20 0.38
▸ FLT3 P36888 1/20 0.38

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
SCHEMBL16264765 0.85 PDGFRB (0.44) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL19387101 0.83 DRD2 (0.43) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL18625959 0.82 NAMPT (0.43) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL18625982 0.79 NPC1 (0.40) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL12251051 0.77 CYP19A1 (0.60) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL16263153 0.75 CYP19A1 (0.57) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL16263155 0.73 CCNE1 (0.37) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29009129 0.73 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL30434942 0.73 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL12251050 0.71 TEK (0.55) NPC1RAB9AALDH1A1KDRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 — — US disclosed
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 — — US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
US-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF THE KITASAKO INSTITUTE (JP) 2016-04-21 — — US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 — — 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 (2 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-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF TMSB10, MLN, TMSB4X NPC1 196/4885MAPT 3249/4885RAB9A 3663/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X NPC1 428/4885MAPT 2502/4885RAB9A 2852/4885

“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.

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