SCHEMBL16003045

SCHEMBL16003045

CNC1CCN(C(=O)c2cn(C)c3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.57
GFER P55789 2/20 0.56
POLB P06746 2/20 0.54
HCRTR1 O43613 1/20 0.54
RAB9A P51151 1/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC1 Q13547 1/20 0.53
NR4A2 P43354 1/20 0.51
CHRM2 P08172 2/20 0.49
ADRA2A P08913 2/20 0.49
CHRM1 P11229 2/20 0.49
ADRA2B P18089 2/20 0.49
CHRM3 P20309 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR4 Q13639 2/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM4 P08173 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL13825988 0.88 GFER (0.57) TPSAB1GFERPOLBHCRTR1RAB9A
SCHEMBL23940212 0.85 TPSAB1 (0.60) TPSAB1GFERPOLBHCRTR1RAB9A
SCHEMBL27249754 0.84 TPSAB1 (0.62) TPSAB1GFERPOLBHCRTR1RAB9A
SCHEMBL27249698 0.82 ALDH1A1 (0.66) TPSAB1GFERPOLBHCRTR1HDAC6
SCHEMBL16002989 0.81 MEN1 (0.69) TPSAB1RAB9ACYP1A2CYP2C9CNR1
SCHEMBL3457429 0.81 ALDH1A1 (0.68) TPSAB1GFERPOLBHCRTR1RAB9A
SCHEMBL3456294 0.81 CNR1 (0.60) TPSAB1GFERPOLBHCRTR1RAB9A
SCHEMBL27249483 0.81 GFER (0.57) TPSAB1GFERPOLBHCRTR1RAB9A
SCHEMBL23940225 0.80 HDAC6 (0.56) TPSAB1POLBHDAC6HDAC1NR4A2
SCHEMBL27249739 0.80 TPSAB1 (0.57) TPSAB1GFERPOLBHCRTR1RAB9A

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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK TPSAB1 204/4885GFER 2902/4885POLB 1761/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS TPSAB1 4291/4885GFER 3584/4885POLB 113/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD TPSAB1 3836/4885GFER 3452/4885POLB 120/4885

“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.