SCHEMBL20205239

SCHEMBL20205239

CCCCCCC(C)(CCCCC)N1CCC(N(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.37
GNAO1 P09471 7/20 0.33
GNAI3 P08754 6/20 0.32
GNAI1 P63096 6/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL18583670 1.00 SPHK1 (0.37) SPHK1GNAO1GNAI3GNAI1ADH1C
SCHEMBL19491909 1.00 SPHK1 (0.37) SPHK1GNAO1GNAI3GNAI1ADH1C
SCHEMBL21940826 0.98 SPHK1 (0.36) SPHK1GNAO1GNAI3GNAI1ADH1C
SCHEMBL21291133 0.95 SPHK1 (0.33) SPHK1
SCHEMBL24368039 0.94 SPHK1 (0.35) SPHK1GNAO1GNAI3GNAI1
SCHEMBL20466350 0.92 SPHK1 (0.33) SPHK1
SCHEMBL22085914 0.88 SPHK1 (0.31) SPHK1GNAO1BCHE
SCHEMBL21227093 0.83 SPHK1 (0.33) SPHK1
SCHEMBL19251315 0.83 SPHK1 (0.33) SPHK1
SCHEMBL19663438 0.83 SPHK1 (0.33) SPHK1

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-11306095-B2 Use of pteridinone derivative serving as EGFR inhibitor EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-04-19 US disclosed
US-20180148454-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR Shanghai Yidian Pharmaceutical Technology Development Co., Ltd. (CN) 2018-05-31 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-11306095-B2 Use of pteridinone derivative serving as EGFR inhibitor EGFR, ERBB2, ERBB3 SPHK1 1664/4885GNAO1 1364/4885GNAI3 590/4885
US-20180148454-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR EGFR, ERBB2, ERBB3 SPHK1 1664/4885GNAO1 1364/4885GNAI3 590/4885

“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.