SCHEMBL4383419

SCHEMBL4383419

OCCNc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
CDK2 P24941 2/20 0.47
FLT4 P35916 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
LTA4H P09960 1/20 0.46
SPR P35270 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL4373879 0.89 KCNH3 (0.50) RAB9ACDK2FLT4GAANPC1
SCHEMBL3985823 0.83
SCHEMBL9755233 0.83 CHRM2 (0.45) RAB9ACDK2FLT4GAANPC1
Hydrochloric Acid SCHEMBL27795225 0.82 RAB9A (0.51) RAB9ACDK2FLT4GAANPC1
SCHEMBL9398320 0.81 CDK2 (0.45) RAB9ACDK2FLT4GAANPC1
SCHEMBL15055378 0.80 RAB9A (0.50) RAB9ACDK2FLT4GAANPC1
SCHEMBL4572901 0.80 RAB9A (0.50) RAB9ACDK2FLT4GAANPC1
SCHEMBL27316413 0.80 RAB9A (0.50) RAB9ACDK2FLT4GAANPC1
SCHEMBL3643530 0.80 RAB9A (0.54) RAB9ACDK2FLT4GAANPC1
SCHEMBL22851453 0.78 RAB9A (0.53) RAB9ACDK2FLT4GAANPC1

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
EP-3704122-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2020-09-09 EP disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed
EP-0074653-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed
EP-0231475-A1 Process for preparing intermediate products and their use for preparing cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-12 EP disclosed
US-4521413-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-04 US disclosed
EP-0074653-A2 New cephem compounds, processes for their preparation, pharmaceutical compositions containing them and intermediate products for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-23 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A RAB9A 3002/4885RECQL 921/4885MCL1 4272/4885

“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.