SCHEMBL5280031

SCHEMBL5280031

Cc1cc(-c2ccccc2)nn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 2/20 0.49
POLB P06746 1/20 0.48
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PHGDH O43175 2/20 0.44
HSD11B1 P28845 1/20 0.44
LDHA P00338 1/20 0.43

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
SCHEMBL14996633 0.83 SMN1; SMN2 (0.51) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL23685707 0.82 RAB9A (0.55) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL19145066 0.82 DYRK1A (0.41) MAPTALDH1A1CYP11B1CYP11B2HPGD
SCHEMBL14091695 0.80 NPC1 (0.54) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6353585 0.80 ALDH1A1 (0.38) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL12988852 0.80 ESRRA (0.56) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL16202036 0.80 ALDH1A1 (0.52) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL4547930 0.80 PHGDH (0.49) RAB9AMAPTKMT2ACYP11B1CYP11B2
SCHEMBL3346256 0.80 TSHR (0.49) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL822565 0.79 ALDH1A1 (0.53) MAPTALDH1A1KMT2ACYP11B1CYP11B2

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
EP-4041259-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2022-08-17 EP disclosed
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 WO disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
CN-1302026-C Additional polymerization catalyst and its production process SUMITOMO CHEMICAL CO (JP) 2007-02-28 CN disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
CN-1390864-A Additional polymerization catalyst and its production process SUMITOMO CHEMICAL CO (JP) 2003-01-15 CN disclosed
EP-0087780-B2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL IND LTD (JP) 1995-02-15 EP disclosed
US-4954164-A Pyrazolesulfonylurea derivatives, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-04 US disclosed
EP-0087780-A2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1983-09-07 EP 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 (6 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS RAB9A 2926/4885NPC1 4598/4885KDM4E 1416/4885
US-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C RAB9A 794/4885NPC1 1153/4885KDM4E 1098/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 RAB9A 3038/4885NPC1 4635/4885KDM4E 3250/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 RAB9A 2236/4885NPC1 3196/4885KDM4E 2167/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 RAB9A 20/4885NPC1 4197/4885KDM4E 4305/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 RAB9A 2236/4885NPC1 3196/4885KDM4E 2167/4885

“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.