SCHEMBL5005571

SCHEMBL5005571

CN(C)CCNc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.72
DYRK1A Q13627 1/20 0.59
KMT2A Q03164 4/20 0.59
NPY1R P25929 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
STAT1 P42224 1/20 0.54
ACP1 P24666 1/20 0.54
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL5310554 0.84 RIPK1 (0.73) RIPK1DYRK1AKMT2ANPY1RSMN1; SMN2
SCHEMBL11204735 0.83 RIPK1 (0.93) RIPK1DYRK1AKMT2ANPY1RSMN1; SMN2
SCHEMBL5005629 0.83 RIPK1 (0.72) RIPK1DYRK1AKMT2ANPY1RSMN1; SMN2
SCHEMBL3748870 0.81 SMN1; SMN2 (0.49) RIPK1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL31730084 0.81 RIPK1 (0.76) RIPK1DYRK1AKMT2ANPY1RSMN1; SMN2
SCHEMBL5212426 0.81 RIPK1 (0.76) RIPK1DYRK1AKMT2ANPY1RSMN1; SMN2
SCHEMBL3749121 0.80 RIPK1 (0.68) RIPK1DYRK1AKMT2ASMN1; SMN2HTT
SCHEMBL5001727 0.80 RIPK1 (0.67) RIPK1DYRK1AKMT2ANPY1RSMN1; SMN2
SCHEMBL13480513 0.79 NPC1 (0.52) DYRK1AKMT2ANPY1RSMN1; SMN2HTT
SCHEMBL3753095 0.79 DYRK1A (0.71) RIPK1DYRK1AKMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN disclosed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 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 (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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK RIPK1 442/4885DYRK1A 40/4885KMT2A 795/4885

“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.