SCHEMBL19008160

SCHEMBL19008160

CC(CO)NCc1cccc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.47
▸ BACE1 P56817 4/20 0.47
▸ SIGMAR1 Q99720 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL13918963 0.87 BCHE (0.47) BCHEBACE1PDCD1CD274NR1H4
SCHEMBL13208280 0.85 BCHE (0.47) BCHEBACE1SIGMAR1CYP2D6HTR2A
SCHEMBL19443076 0.82 BCHE (0.45) BCHEBACE1SIGMAR1CYP2D6HTR2A
SCHEMBL15587439 0.80 ALDH1A1 (0.65) SIGMAR1CYP2D6ALDH1A1PDCD1CD274
SCHEMBL17604065 0.79 MAOB (0.46) SIGMAR1CYP2D6ALDH1A1
SCHEMBL1653046 0.78 HTR2A (0.49) BCHEBACE1SIGMAR1CYP2D6HTR2A
SCHEMBL1005593 0.77 SIGMAR1 (0.68) BCHESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL1189292 0.77 SIGMAR1 (0.68) BCHESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL1005591 0.77 SIGMAR1 (0.68) BCHESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL18626560 0.76 IKBKB (0.35) BCHEBACE1SIGMAR1CYP2D6ALDH1A1

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 2 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

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 BCHE 4672/4885BACE1 3929/4885SIGMAR1 3863/4885

“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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