SCHEMBL19947332

SCHEMBL19947332

CN(C)c1cncc(Br)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NCF1 P14598 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL4269575 0.82 CKS1B (0.40) CYP11B1CYP11B2CKS1BSKP1SKP2
SCHEMBL9458957 0.76 CYP11B1 (0.35) CYP11B1CYP11B2CKS1BSKP1SKP2
SCHEMBL29571645 0.74 JAK3 (0.36)
SCHEMBL240351 0.73 MEN1 (0.40) CYP11B1CYP11B2CKS1BSKP1SKP2
SCHEMBL15306565 0.73 CYP11B1 (0.33) CYP11B1CYP11B2CKS1BSKP1SKP2
SCHEMBL31273538 0.73
SCHEMBL4968 0.73
SCHEMBL29361363 0.72 KCNQ3 (0.35)
SCHEMBL11462712 0.71 CDK2 (0.44) CYP11B1CYP11B2CKS1BSKP1SKP2
SCHEMBL15133517 0.71 CDK2 (0.44) CYP11B1CYP11B2CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261200-B2 Heteroaryltrifluoroborate compounds for the treatment of mycobacterial infections THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2022-03-01 US disclosed
EP-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed
EP-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC 2019-09-12 US disclosed
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC 2019-09-12 US disclosed
EP-3522892-A2 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2019-08-14 EP disclosed
EP-3512837-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 Boehringer Ingelheim International GmbH (DE) 2019-07-24 EP disclosed
US-10138222-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-27 US disclosed
WO-2018067762-A2 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2018-04-12 WO disclosed
WO-2018067762-A2 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2018-04-12 WO disclosed
WO-2018052773-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
WO-2018052773-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 US disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 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 (4 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-10138222-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 CYP11B1 2521/4885CYP11B2 1804/4885CKS1B 237/4885
US-11261200-B2 Heteroaryltrifluoroborate compounds for the treatment of mycobacterial infections FNTB, CYP2F1, SDHB CYP11B1 55/4885CYP11B2 63/4885CKS1B 3159/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 CYP11B1 1184/4885CYP11B2 856/4885CKS1B 568/4885
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS FNTB, CYP2F1, SDHB CYP11B1 55/4885CYP11B2 63/4885CKS1B 3159/4885

“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.