Sugi Predict

Sugi Predict / Compounds / SCHEMBL742979

SCHEMBL742979

SCHEMBL742979

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ RIPK1 Q13546 16/20 0.37
▸ AURKA O14965 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34

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
SCHEMBL744946 0.88 FGFR1 (0.41) FGFR1RIPK1AURKAAURKB
SCHEMBL940569 0.86 FGFR1 (0.39) CYP1A2CYP3A4MAPTCYP2C19FGFR1
SCHEMBL13892299 0.86 FGFR1 (0.37) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL744320 0.84 FGFR1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL939373 0.82 FGFR1 (0.42) FGFR1RIPK1AURKAAURKB
SCHEMBL762823 0.81 FGFR1 (0.41) FGFR1RIPK1AURKAAURKB
SCHEMBL744286 0.80 EGFR (0.42) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL3618756 0.79 AURKB (0.45) FGFR1RIPK1AURKAAURKB
SCHEMBL762162 0.78 FGFR1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3619154 0.77 RIPK1 (0.49) RIPK1AURKAAURKB

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 6 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
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 LMNA 1679/4885CYP1A2 4019/4885CYP3A4 4329/4885

“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.