Sugi Predict

Sugi Predict / Compounds / SCHEMBL746492

SCHEMBL746492

SCHEMBL746492

Cc1cccc(NC(=O)Nc2ccc(-c3c(C(=O)O)cn4ncnc(N)c34)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.41
▸ GBA1 P04062 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ NEK7 Q8TDX7 2/20 0.40
▸ FLT3 P36888 5/20 0.39
▸ KDR P35968 2/20 0.39
▸ KIT P10721 1/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CDK1 P06493 1/20 0.39

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
SCHEMBL744362 0.92 RAB9A (0.40) RAB9AGBA1MAPTNEK7FLT3
SCHEMBL743943 0.91 FLT3 (0.39) RAB9AGBA1MAPTFGFR1NEK7
SCHEMBL762327 0.90 SORT1 (0.43) RAB9AGBA1MAPTFGFR1FLT3
SCHEMBL744085 0.90 FGFR1 (0.46) RAB9AGBA1MAPTFGFR1NEK7
SCHEMBL765587 0.90 KDR (0.40) RAB9AGBA1MAPTFGFR1NEK7
SCHEMBL742347 0.89 MAPK14 (0.40) RAB9AGBA1MAPTFGFR1NEK7
SCHEMBL762818 0.89 KDM4E (0.38) RAB9AGBA1MAPTFGFR1NEK7
SCHEMBL744251 0.89 MAPK14 (0.43) RAB9AGBA1MAPTNEK7FLT3
SCHEMBL744532 0.89 FLT3 (0.38) RAB9AGBA1MAPTFGFR1NEK7
SCHEMBL744854 0.88 FLT3 (0.38) RAB9AGBA1MAPTFGFR1NEK7

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-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

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 RAB9A 3303/4885GBA1 3304/4885MAPT 1008/4885

“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.