SCHEMBL21783076

SCHEMBL21783076

CC1(c2ccccc2)Cc2cc(C(=O)O)cnc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
CRBN Q96SW2 2/20 0.38
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
GCK P35557 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HCAR3 P49019 3/20 0.35
NNMT P40261 3/20 0.35
LDHA P00338 1/20 0.34
VNN1 O95497 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL21783027 0.89 HDAC3 (0.40) HPGDKDM4EMAPTGSK3AGSK3B
SCHEMBL21782984 0.89 HDAC3 (0.40) HPGDKDM4EMAPTGSK3AGSK3B
SCHEMBL21783072 0.89 HCAR2 (0.37) HCAR3NNMTMAP4K4
SCHEMBL21772879 0.89 HCAR2 (0.37) CRBNHPGDKDM4EMAPTHCAR3
SCHEMBL21772830 0.89 HCAR2 (0.37) CRBNHPGDKDM4EMAPTHCAR3
SCHEMBL21783052 0.89 HCAR2 (0.37) HCAR3NNMTMAP4K4
SCHEMBL21782999 0.88 CCR2 (0.40) HCAR3VNN1MAP4K4GSK3AGSK3B
SCHEMBL21783082 0.88 CCR2 (0.40) HCAR3VNN1MAP4K4GSK3AGSK3B
Hydrochloric Acid SCHEMBL21772914 0.88 HCAR2 (0.36) CRBNHPGDKDM4EMAPTHCAR3
SCHEMBL21783061 0.88 KMT2A (0.39) HPGDGFERKDM4EPDGFRBKDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-04 US disclosed
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-15 US disclosed
WO-2020043658-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 WO disclosed
US-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 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 (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-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH MGAM 2949/4885CRBN 1662/4885HPGD 252/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH MGAM 2949/4885CRBN 1662/4885HPGD 252/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH MGAM 2949/4885CRBN 1662/4885HPGD 252/4885

“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.