SCHEMBL17896348

SCHEMBL17896348

CN1CCOC(C(=O)Nc2cccc(C(C)(C)C)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.55
MAP3K5 Q99683 1/20 0.45
ABL1 P00519 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK14 Q16539 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
USP30 Q70CQ3 1/20 0.42
GRIN2B Q13224 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
AKT1 P31749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
P2RX1 P51575 1/20 0.40

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
SCHEMBL17896866 0.84 MAP4K4 (0.57) MAP4K4MAP3K5ABL1
SCHEMBL21925238 0.83 MAP4K4 (0.56) MAP4K4MAP3K5ABL1CD274SMN1; SMN2
SCHEMBL11272707 0.82 USP30 (0.57) MAP4K4MAP3K5ABL1KDM4EUSP30
SCHEMBL19016256 0.81 MAP4K4 (0.55) MAP4K4MAP3K5ABL1RXFP1USP30
SCHEMBL17896349 0.81 HPGD (0.60) SMN1; SMN2POLBHPGD
SCHEMBL13155070 0.73 RXFP1 (0.64) HDAC3HDAC8HDAC6KDM4EMAPK14
SCHEMBL19887999 0.72 RXFP1 (0.54) HDAC3HDAC8HDAC6KDM4EMAPK14
SCHEMBL17896802 0.71 MAP4K4 (0.56) MAP4K4MAP3K5ABL1KDM4EUSP30
SCHEMBL15587560 0.71 MAP4K4 (1.00) MAP4K4
SCHEMBL17896347 0.71 ACKR3 (0.57) MAP4K4HDAC3HDAC8HDAC6KDM4E

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-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-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 MAP4K4 700/4885MAP3K5 419/4885ABL1 18/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885MAP3K5 475/4885ABL1 46/4885

“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.