SCHEMBL17896347

SCHEMBL17896347

CC(C)(C)c1cccc(NC(=O)C2CCOC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.57
PIP5K1C O60331 5/20 0.54
PIK3CA P42336 5/20 0.54
RXFP1 Q9HBX9 1/20 0.53
MAP4K4 O95819 1/20 0.51
MAPK14 Q16539 2/20 0.48
PIP5K1B O14986 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
PIP5K1A Q99755 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BRAF P15056 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL19887999 0.89 RXFP1 (0.54) ACKR3RXFP1MAPK14HDAC3HDAC8
SCHEMBL13155070 0.85 RXFP1 (0.64) RXFP1MAPK14HDAC3HDAC8HDAC6
SCHEMBL8278939 0.83 NPSR1 (0.68) ACKR3PIP5K1CPIK3CAMAP4K4MAPK14
SCHEMBL17404497 0.82 RXFP1 (0.68) RXFP1HDAC3HDAC8HDAC6BRAF
SCHEMBL13762199 0.82 RXFP1 (0.72) RXFP1BRAFKDM4ENPSR1ALDH1A1
SCHEMBL21923085 0.80 PIP5K1C (0.54) ACKR3PIP5K1CPIK3CAMAP4K4MAPK14
SCHEMBL26657298 0.78 EPHX2 (0.56) KDM4E
SCHEMBL26667070 0.78 EPHX2 (0.49) ACKR3KDM4EMEN1KMT2A
SCHEMBL17896349 0.77 HPGD (0.60) ALDH1A1MEN1KMT2A
SCHEMBL22536535 0.77 SMN1; SMN2 (0.46) ACKR3PIP5K1CPIK3CARXFP1KDM4E

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 ACKR3 1223/4885PIP5K1C 1247/4885PIK3CA 618/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR ACKR3 239/4885PIP5K1C 1705/4885PIK3CA 957/4885

“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.