SCHEMBL90896

SCHEMBL90896

Nc1ncnn2c(-c3cnco3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.37
MAP4K4 O95819 2/20 0.36
PTK2 Q05397 1/20 0.34
RIPK1 Q13546 6/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RCE1 Q9Y256 1/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
KEAP1 Q14145 1/20 0.30

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
SCHEMBL65386 0.73 FGFR1 (0.38) RIPK1CSNK2A2CSNK2A1FGFR1FGFR3
SCHEMBL31078261 0.72 CSNK2A2 (0.43) TNIKMAP4K4RIPK1CSNK2A2CSNK2A1
SCHEMBL13075167 0.69 MAP4K4 (0.44) TNIKMAP4K4RIPK1
SCHEMBL20820178 0.68 MAP4K4 (0.47) TNIKMAP4K4RIPK1ALDH1A1
SCHEMBL279411 0.68 FGFR1 (0.40) MAP4K4LMNAPKMIMPDH2IMPDH1
SCHEMBL15740086 0.67 MAP4K4 (0.46) TNIKMAP4K4RIPK1ALDH1A1
SCHEMBL31078548 0.66 PTGS2 (0.43) TNIKMAP4K4PTK2RIPK1
SCHEMBL30500187 0.66 TNIK (0.40) TNIKMAP4K4RIPK1
SCHEMBL31630485 0.66 KEAP1 (0.40) TNIKMAP4K4RIPK1KEAP1
SCHEMBL64667 0.65 MAP4K4 (0.44) TNIKMAP4K4RIPK1ALDH1A1

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 4 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-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 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 (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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 TNIK 3255/4885MAP4K4 147/4885PTK2 1770/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 TNIK 3251/4885MAP4K4 151/4885PTK2 1756/4885

“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.