SCHEMBL176103

SCHEMBL176103

Oc1nc(C(F)(F)c2ccc(F)cc2)nc2cc(Br)ccc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 1/20 0.32
NT5E P21589 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ACHE P22303 1/20 0.30
F2 P00734 3/20 0.30

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
SCHEMBL164991 0.84 GRM2 (0.41) MEN1KMT2AKDM4EMAPT
SCHEMBL161307 0.82 NT5E (0.32) NT5E
SCHEMBL163749 0.81 KDM4E (0.44) MEN1KMT2AMPOKDM4EMAPT
SCHEMBL162442 0.81 PTGES (0.35) MPONT5EF2
SCHEMBL164199 0.80 CCNE2 (0.41) MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL28094499 0.80 KDM4E (0.43) MEN1KMT2AMPOKDM4EMAPT
SCHEMBL27845976 0.78 PSEN1 (0.39) MEN1KMT2AKDM4EMAPTF2
SCHEMBL161366 0.77 KDM4E (0.43) MEN1KMT2AKDM4EMAPT
SCHEMBL27845975 0.77 PKM (0.38) KMT2AKDM4EMAPTF2
SCHEMBL28094522 0.75 GRM2 (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MEN1 3010/4885KMT2A 1014/4885MPO 1458/4885

“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.