SCHEMBL17896307

SCHEMBL17896307

CC(C)(C)c1cccc(CC(=O)NC2CCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.63
SMYD3 Q9H7B4 1/20 0.58
SIGMAR1 Q99720 2/20 0.54
POLB P06746 4/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL9849508 0.85 SMYD3 (0.75) EPHX2SMYD3SIGMAR1POLBHTT
SCHEMBL9849509 0.83 SMYD3 (0.77) EPHX2SMYD3SIGMAR1POLBHTT
SCHEMBL5051860 0.81 EPHX2 (0.68) EPHX2POLBMEN1ALDH1A1KMT2A
SCHEMBL12993365 0.79 MEN1 (0.49) SMYD3MEN1ALDH1A1KMT2A
SCHEMBL1800332 0.78 EPHX2 (0.74) EPHX2SIGMAR1POLBMEN1ALDH1A1
SCHEMBL11629386 0.78 EPHX2 (0.68) EPHX2SMYD3SIGMAR1POLBMEN1
SCHEMBL20382971 0.78 CA1 (0.54) SMYD3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12931997 0.77 EPHX2 (1.00) EPHX2SIGMAR1POLBMEN1KMT2A
SCHEMBL11629518 0.77 EPHX2 (0.70) EPHX2SMYD3SIGMAR1POLBMEN1
SCHEMBL2753089 0.77 EPHX2 (0.96) EPHX2SIGMAR1POLBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 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 (2 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL EPHX2 2215/4885SMYD3 2230/4885SIGMAR1 3515/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR EPHX2 1762/4885SMYD3 3182/4885SIGMAR1 3863/4885

“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.