SCHEMBL17896335

SCHEMBL17896335

CC(C)c1cc(F)cc(NC(=O)C2CCCO2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
ALDH1A1 P00352 6/20 0.55
HPGD P15428 6/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAP4K4 O95819 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.48
CYP2C9 P11712 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
SCHEMBL15587783 0.83 POLB (0.64) POLBALDH1A1HPGDKDM4ERAB9A
SCHEMBL17896337 0.81 MAP4K4 (0.54) POLBALDH1A1HPGDKDM4ERAB9A
SCHEMBL18626609 0.80 POLB (0.60) POLBALDH1A1HPGDKDM4ERAB9A
SCHEMBL17896328 0.80 MAP4K4 (0.52) POLBALDH1A1HPGDKDM4ERAB9A
SCHEMBL17896325 0.80 MAP4K4 (0.48) RAB9ALMNAMEN1KMT2AMAP4K4
SCHEMBL18626608 0.72 L3MBTL1 (0.50) HPGDRAB9AMEN1KMT2AMAP4K4
SCHEMBL15886278 0.72 POLB (0.67) POLBALDH1A1HPGDKDM4ERAB9A
SCHEMBL21282782 0.72 GAA (0.51) POLBALDH1A1KDM4ELMNAMEN1
SCHEMBL15587329 0.69 HPGD (0.64) POLBALDH1A1HPGDKDM4ERAB9A
SCHEMBL21348452 0.68 JAK2 (0.53) ALDH1A1HPGDKDM4ELMNAMEN1

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-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-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 POLB 1063/4885ALDH1A1 534/4885HPGD 703/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR POLB 1697/4885ALDH1A1 586/4885HPGD 466/4885

“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.