SCHEMBL742993

SCHEMBL742993

CCOC(=O)/C(=C\N(C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 7/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.40
GLO1 Q04760 1/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL742994 1.00 MAPT (0.47) MAPTALDH1A1GAAHPGDLMNA
SCHEMBL279188 0.87 MAPT (0.47) MAPTALDH1A1GAAHPGDLMNA
SCHEMBL275028 0.87 MAPT (0.47) MAPTALDH1A1GAAHPGDLMNA
SCHEMBL275027 0.87 MAPT (0.47) MAPTALDH1A1GAAHPGDLMNA
SCHEMBL11379030 0.85 TSHR (0.42) MAPTALDH1A1GAAHPGDLMNA
SCHEMBL9564470 0.84 POLB (0.43) MAPTALDH1A1HPGDLMNANPSR1
SCHEMBL279506 0.81 CES1 (0.47) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL276774 0.81 CES1 (0.47) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL276773 0.81 CES1 (0.47) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL13417554 0.81 MAPT (0.58) MAPTALDH1A1GAALMNACYP3A4

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-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
EP-2203060-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2010-07-07 EP disclosed
WO-2009042543-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2009-04-02 WO 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 MAPT 1008/4885ALDH1A1 3546/4885GAA 2799/4885

“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.