SCHEMBL17896341

SCHEMBL17896341

CC(C)c1cccc(NC(=O)CC2CCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 3/20 0.49
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAMPT P43490 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 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
SCHEMBL17896863 0.84 NPC1 (0.69) MAP4K4NPC1RAB9AHPGDGAA
SCHEMBL17896328 0.82 MAP4K4 (0.52) MAP4K4NPC1RAB9AHPGDCYP3A4
SCHEMBL6409278 0.73 POLB (0.63) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL12569855 0.73 FADS1 (0.55) RAB9AHPGDGAALMNASMN1; SMN2
SCHEMBL21349057 0.72 KDM4E (0.51) HPGDTDP1RXFP1LMNAALDH1A1
SCHEMBL13547747 0.72 FADS1 (0.54) RAB9AHPGDGAALMNASMN1; SMN2
SCHEMBL4002308 0.72 SMN1; SMN2 (0.55) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL11795655 0.72 SMN1; SMN2 (0.63) NPC1RAB9AHPGDCYP2C9CYP2C19
SCHEMBL967250 0.72 FADS1 (0.57) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL19540323 0.71 LMNA (0.75) HPGDGAARXFP1LMNASMN1; SMN2

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 MAP4K4 700/4885NPC1 2128/4885RAB9A 1222/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885NPC1 3072/4885RAB9A 1606/4885

“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.