SCHEMBL19669151

SCHEMBL19669151

COC(=O)c1cnnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HSD11B1 P28845 9/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 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
SCHEMBL14788583 0.84 TP53 (0.41) TP53SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8156087 0.83 TP53 (0.58) TP53SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13838792 0.81 HSD11B1 (0.55) HSD11B1ALDH1A1
SCHEMBL2077909 0.81 ALDH1A1 (0.51) HSD11B1ALDH1A1
SCHEMBL25043899 0.81 TSHR (0.38) TP53SMN1; SMN2HSD11B1HPGDMEN1
SCHEMBL5904833 0.81 CFTR (0.43) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7672960 0.78 RIPK2 (0.50) HSD11B1KMT2AALDH1A1
SCHEMBL13819946 0.77 ALDH1A1 (0.49) HSD11B1ALDH1A1
SCHEMBL18307633 0.77 HSD11B1 (0.55) HSD11B1ALDH1A1
SCHEMBL69400 0.76 SMN1; SMN2 (0.60) TP53SMN1; SMN2HPGDMEN1KMT2A

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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 TP53 963/4885SMN1; SMN2 3035/4885HSD11B1 3178/4885

“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.