SCHEMBL20733876

SCHEMBL20733876

C/C=C\C(=C/C)CCNc1nc(N2CCCCC2CO)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.42
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
NPY1R P25929 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 4/20 0.41
SLC2A1 P11166 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CCR4 P51679 1/20 0.39
ACVR1 Q04771 1/20 0.39
GAA P10253 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
SCHEMBL20733815 0.97 CDK1 (0.45) CDK1KDM4EGLAMEN1TSHR
SCHEMBL20733875 0.81 HRH4 (0.57) CDK1KDM4ECCNE2CDK4CCND1
SCHEMBL20733814 0.78 HRH4 (0.58) CDK1KDM4ECCNE2CDK4CCND1
SCHEMBL20718973 0.78 HRH4 (0.58) CDK1KDM4ECCNE2CDK4CCND1
SCHEMBL2845074 0.76 HRH4 (0.53) CDK1KDM4ECCNE2CDK4CCND1
SCHEMBL3644297 0.76 CDK1 (0.62) CDK1KDM4EKMT2ACCNE2CDK4
SCHEMBL3644294 0.76 CDK1 (0.62) CDK1KDM4EKMT2ACCNE2CDK4
SCHEMBL20718970 0.75 CCNE2 (0.62) CDK1CCNE2CCNE1CDK2CDK5
SCHEMBL2852678 0.74 HRH4 (0.51) CDK1KDM4EKMT2ACCNE2CDK4
SCHEMBL2852687 0.74 CCNE2 (0.49) CDK1KDM4EGLAMEN1TSHR

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-10815219-B2 2,4-diaminoquinazoline derivatives for inhibiting endoplasmic reticulum (ER) stress THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2020-10-27 US disclosed
US-20190047988-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2019-02-14 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-20190047988-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS DDIT3, HSPA5, ERN2 CDK1 1415/4885KDM4E 2175/4885GLA 3639/4885
US-10815219-B2 2,4-diaminoquinazoline derivatives for inhibiting endoplasmic reticulum (ER) stress DDIT3, HSPA5, ERN2 CDK1 1415/4885KDM4E 2175/4885GLA 3639/4885

“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.