SCHEMBL5757316

SCHEMBL5757316

Nc1ccnc(CCNC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 1/20 0.37
PTGFR P43088 1/20 0.37
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GSK3B P49841 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CNR1 P21554 1/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL19013912 0.78 HPGD (0.45) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL2144419 0.75 LOXL2 (0.40) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL1694984 0.75 RAB9A (0.62) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL27837098 0.74 GABRA5 (0.53) KDM4EALDH1A1GABRPGABRDGABRA1
SCHEMBL5657863 0.74 ADORA2A (0.40) RAB9AMEN1NPC1KMT2AADORA2A
SCHEMBL23445929 0.73 RECQL (0.42) RAB9AMEN1NPC1KMT2AADORA2A
Hydrochloric Acid SCHEMBL7603529 0.73 RAB9A (0.61) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL28292606 0.73 LMNA (0.41) MEN1KMT2ASMN1; SMN2CYP3A4MAPK1
SCHEMBL15286368 0.73 NPC1 (0.43) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL18989709 0.73 ALDH1A1 (0.39) MEN1KMT2AADORA2ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815100-B1 TRICYCLIC AMIDE AND UREA COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORP (US) 2006-06-21 EP disclosed
US-20030055065-A1 Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases BISHOP W ROBERT (US) 2003-03-20 US disclosed
US-20020068742-A1 Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases BISHOP W ROBERT (US) 2002-06-06 US disclosed
US-6365588-B1 AS ANTINEOPLASTIC AGENT AND A POTENTIATING SCHERING CORPORATION 2002-04-02 US disclosed
US-6242458-B1 INHIBITING FARNESYL PROTEIN TRANSFERASE IN A HUMAN SCHERING CORPORATION 2001-06-05 US disclosed
US-5807852-A Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases SCHERING CORPORATION (US) 1998-09-15 US disclosed
US-5807853-A Tricyclic amide and urea compounds, useful inhibition of g-protein function and for treatment of proliferative diseases SCHERING CORPORATION (US) 1998-09-15 US disclosed
US-5719148-A FARNESYL-PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 1998-02-17 US disclosed
US-5714609-A FORMING CHEMICAL INTERMEDIATE BY NITRATING SUBSTITUTED BENZO/5,6/CYCLOHEPTA/1,2-B/PYRIDINE WITH TETRABUTYLAMMONIUM NITRATE AND TRIFLUOROACETIC ANHYDRIDE IN SOLVENT AT REDUCED TEMPERATURE SCHERING CORPORATION (US) 1998-02-03 US disclosed
EP-0815100-A1 TRICYCLIC AMIDE AND UREA COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORPORATION (US) 1998-01-07 EP disclosed
US-5700806-A FARNESYL PROTEIN TRANSFERASE ENZYME INHIBITOR, ANTITUMOR AGENTS SCHERING CORPORATION (US) 1997-12-23 US disclosed
US-5696121-A 4-(3-BROMO 8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2B)PYRIDINE-11-YL)-N-(3 -PYRIDINYL)-1-PIPERAZINECARBOXIDE; ANTITUMOR AGENT; FARNESYL PROTEIN TRANSFERASE INHIBITOR SCHERING CORPORATION (US) 1997-12-09 US disclosed
WO-1996030363-A1 TRICYCLIC AMIDE AND UREA COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORPORATION (US) 1996-10-03 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 (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-20030055065-A1 Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases RASGRP1, CCNA1, CCNA2 RAB9A 167/4885MEN1 485/4885NPC1 3290/4885
US-20020068742-A1 Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases RASGRP1, CCNA1, CCNA2 RAB9A 167/4885MEN1 485/4885NPC1 3290/4885

“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.