SCHEMBL161012

SCHEMBL161012

CCOC(=O)C(F)(F)c1ncc(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ FOS P01100 2/20 0.38
▸ JUN P05412 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ POLB P06746 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ AGBL2 Q5U5Z8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19962267 0.85 FOS (0.40) KDM4ESMN1; SMN2FOSJUNNFKB1
SCHEMBL19962271 0.83 MAPK1 (0.39) MAPTKDM4ESMN1; SMN2FOSJUN
SCHEMBL3739399 0.82 TSHR (0.48) MAPTKDM4ESMN1; SMN2POLBGAA
SCHEMBL161047 0.81 MAPT (0.42) MAPTSMN1; SMN2POLBGAAHTT
SCHEMBL17315789 0.80 KDM4E (0.38) MAPTKDM4ESMN1; SMN2POLBGAA
SCHEMBL5967286 0.74 MAPT (0.40) MAPTKDM4ESMN1; SMN2POLBHTT
SCHEMBL2396473 0.74 MAPT (0.50) MAPTKDM4ESMN1; SMN2GAAHTT
SCHEMBL161907 0.74 AGBL2 (0.34) KDM4EAGBL2
SCHEMBL23169307 0.73 L3MBTL1 (0.45) KDM4ESMN1; SMN2NFKB1POLBGAA
SCHEMBL17583150 0.73 POLB (0.39) MAPTKDM4ESMN1; SMN2POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 — — US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 — — EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 — — WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 — — 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 MAPT 2693/4885KDM4E 1840/4885SMN1; SMN2 2411/4885

“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.

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