SCHEMBL19322293

SCHEMBL19322293

CCOCCN1CCC(F)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH3 Q9Y5N1 6/20 0.39
HRH1 P35367 7/20 0.38
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
EHMT2 Q96KQ7 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH2 P25021 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
SCHEMBL12881013 1.00 CYP2D6 (0.50) CYP2D6CYP2C19HRH3HRH1GNAI3
SCHEMBL23682741 0.94 CYP2D6 (0.46) CYP2D6CYP2C19HRH3HRH1GNAI3
SCHEMBL22924119 0.88 CYP2D6 (0.45) CYP2D6CYP2C19HRH3HRH1GNAI3
SCHEMBL17623238 0.82 CYP2D6 (0.38) CYP2D6CYP2C19HRH3EHMT2SLC6A4
SCHEMBL21738353 0.82 HRH3 (0.45) CYP2D6CYP2C19HRH3HRH1GNAI3
SCHEMBL12712694 0.80 GBA1 (0.40) HRH3EHMT2
SCHEMBL13193525 0.80 GBA1 (0.40) HRH3EHMT2
SCHEMBL12712691 0.80 GBA1 (0.40) HRH3EHMT2
SCHEMBL26059858 0.80 CYP2D6 (0.37) CYP2D6CYP2C19HRH1
SCHEMBL6119492 0.79 HRH3 (0.38) CYP2D6CYP2C19HRH3HRH1KDM4E

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-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-20210008023-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2021-01-14 US disclosed
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 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 (3 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-20210008023-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 CYP2D6 3670/4885CYP2C19 3303/4885HRH3 364/4885
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 CYP2D6 3634/4885CYP2C19 3310/4885HRH3 386/4885
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 CYP2D6 3634/4885CYP2C19 3310/4885HRH3 386/4885

“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.