SCHEMBL18626538

SCHEMBL18626538

CC(C)c1cccc(CNC2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ POLB P06746 2/20 0.52
▸ CXCR4 P61073 1/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ BACE1 P56817 3/20 0.46
▸ PRMT5 O14744 3/20 0.46
▸ WDR77 Q9BQA1 3/20 0.46
▸ CTSD P07339 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ACHE P22303 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
SCHEMBL19008153 0.97 ALDH1A1 (0.56) ALDH1A1POLBCXCR4KCNH2KDM4E
SCHEMBL5022826 0.94 ALDH1A1 (0.51) ALDH1A1POLBBACE1CTSDACHE
SCHEMBL19008147 0.88 ALDH1A1 (0.47) ALDH1A1POLBBACE1CTSDTSHR
SCHEMBL19008156 0.87 ALDH1A1 (0.46) ALDH1A1POLBBACE1CTSDACHE
SCHEMBL19008149 0.87 ALDH1A1 (0.46) ALDH1A1POLBBACE1PRMT5WDR77
SCHEMBL19008152 0.83 BACE1 (0.52) ALDH1A1BACE1CTSD
SCHEMBL19008166 0.82 BACE1 (0.47) ALDH1A1BACE1CTSD
SCHEMBL11509945 0.81 ALDH1A1 (0.68) ALDH1A1POLBCXCR4KCNH2KDM4E
SCHEMBL9252404 0.81 ALDH1A1 (0.68) ALDH1A1POLBCXCR4KCNH2KDM4E
SCHEMBL19008157 0.80 DRD4 (0.49) ALDH1A1KDM4EBACE1CTSDTSHR

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 5 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 — — 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

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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR ALDH1A1 586/4885POLB 1697/4885CXCR4 88/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 3825/4885POLB 2768/4885CXCR4 2144/4885

“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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