SCHEMBL59997

SCHEMBL59997

CC(C)(C)c1ccnc(N(C(=O)O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.39
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL57464 0.85 POLQ (0.40) NPSR1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL58311 0.80 RAB9A (0.47) ALDH1A1POLBNPSR1RAB9AMEN1
SCHEMBL7985481 0.77 POLQ (0.41) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL19714638 0.77 ALDH1A1 (0.46) ALDH1A1POLBCYP2D6NPSR1RAB9A
SCHEMBL10855054 0.74 NPSR1 (0.50) ALDH1A1POLBNPSR1RAB9AMEN1
SCHEMBL4741127 0.74 RAB9A (0.53) ALDH1A1POLBCYP2D6NPSR1RAB9A
SCHEMBL23213788 0.73 SERPINE1 (0.38) NPSR1MEN1KMT2AKDM4CKDM5B
SCHEMBL28522486 0.73 ALDH1A1 (0.40) ALDH1A1CYP2D6MEN1KMT2ACYP3A4
SCHEMBL59042 0.73 PPARG (0.40) MEN1KMT2A
SCHEMBL9274101 0.72 TP53 (0.49) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2

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 3 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-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 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 ALDH1A1 3327/4885POLB 945/4885CYP2D6 4293/4885

“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.