Sugi Predict

Sugi Predict / Compounds / SCHEMBL744320

SCHEMBL744320

SCHEMBL744320

Nc1ncnn2cc(C(=O)O)c(-c3ccc([N+](=O)[O-])c(Cl)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.42
▸ EIF4E P06730 2/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ALKBH5 Q6P6C2 2/20 0.33

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
SCHEMBL13892299 0.88 FGFR1 (0.37) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL744286 0.86 EGFR (0.42) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL762162 0.86 FGFR1 (0.33) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL742979 0.84 LMNA (0.39) FGFR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL941401 0.83 FGFR1 (0.44) FGFR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL13892285 0.82 FGFR1 (0.45) FGFR1CYP3A4EGLN1ALDH1A1
SCHEMBL764040 0.80 FGFR1 (0.39) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL762329 0.76 DHFR (0.43) TP53CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL743479 0.76 FGFR1 (0.46) FGFR1TNK2MAPK1
SCHEMBL276415 0.74 EGFR (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 — — US disclosed
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 — — US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 — — US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 — — US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 — — 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-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885EIF4E 2797/4885FABP4 4227/4885

“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.