SCHEMBL58311

SCHEMBL58311

Cc1ccnc(N(C(=O)O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
OPRM1 P35372 1/20 0.38
JAK2 O60674 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.37
UHRF1 Q96T88 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL7982464 0.89 MEN1 (0.47) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL11464552 0.85 OPRM1 (0.47) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL19714638 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2NPSR1POLB
SCHEMBL59997 0.80 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2NPSR1POLB
SCHEMBL3625363 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL30811088 0.78 UHRF1 (0.43) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL10855054 0.78 NPSR1 (0.50) RAB9ANPC1SMN1; SMN2TP53NPSR1
SCHEMBL4506327 0.77 POLB (0.44) RAB9ANPC1SMN1; SMN2NPSR1POLB
SCHEMBL57464 0.77 POLQ (0.40) RAB9ASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL21241166 0.76 UHRF1 (0.42) RAB9ANPC1SMN1; SMN2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 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 (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-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 RAB9A 4614/4885NPC1 4384/4885SMN1; SMN2 4004/4885

“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.