SCHEMBL18626561

SCHEMBL18626561

CC(C)c1cc(F)cc(CNCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.44
▸ CTSD P07339 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MPO P05164 1/20 0.33
▸ VSIR Q9H7M9 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL28300111 0.82 GSR (0.50) GSRL3MBTL1PDCD1CD274SMN1; SMN2
SCHEMBL19008154 0.81 MAP4K4 (0.44) CTSDBACE1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL18626594 0.80 MAP4K4 (0.43) CTSDBACE1L3MBTL1SMN1; SMN2MEN1
SCHEMBL18626534 0.78 MAP4K4 (0.42) CTSDBACE1L3MBTL1MEN1KMT2A
SCHEMBL15587609 0.78 GSR (0.47) GSRL3MBTL1PDCD1CD274SMN1; SMN2
SCHEMBL22168990 0.78 HSD11B1 (0.33) CTSDBACE1KDM4E
SCHEMBL19008165 0.77 TRPV3 (0.34) CTSDBACE1MEN1KMT2A
SCHEMBL17563740 0.77 CTSD (0.36) CTSDBACE1L3MBTL1
SCHEMBL13491337 0.77 CYP4F2 (0.44) CTSDBACE1MEN1KMT2AHTT
SCHEMBL18626562 0.76 MAP4K4 (0.41) CTSDBACE1MEN1KMT2AKDM4E

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR GSR 2966/4885CTSD 3865/4885BACE1 3929/4885

“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.

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