SCHEMBL3589064

SCHEMBL3589064

O=C(O)Cc1ccc2ncccc2c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BLM P54132 2/20 0.40
POLB P06746 1/20 0.40
IDE P14735 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NSD2 O96028 1/20 0.40
ERN1 O75460 1/20 0.40
AKR1B1 P15121 1/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL3162427 0.82 MAPK8 (0.41) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL1160935 0.82 KDM4E (0.54) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL24368255 0.81 MAPT (0.49) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL14346075 0.81 KDM4E (0.49) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL13676648 0.80 MAPT (0.52) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL3720399 0.80 KDM4E (0.59) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL31717044 0.79 TDP1 (0.45) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL3150424 0.79 MTNR1A (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3712126 0.79 KDM4E (0.57) CYP1A2MAPTKDM4EMEN1KMT2A
SCHEMBL20562117 0.79 MTNR1A (0.46) CYP1A2MAPTKDM4EMEN1KMT2A

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
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 CYP1A2 2013/4885MAPT 3032/4885KDM4E 3016/4885

“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.