Sugi Predict

Sugi Predict / Compounds / SCHEMBL15412508

SCHEMBL15412508

SCHEMBL15412508

O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SI P14410 1/20 0.53
▸ MGAM2 Q2M2H8 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HSPB1 P04792 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41

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
SCHEMBL12819078 0.84 MGAM (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL15007112 0.83 MAPT (0.54) MGAMGAASIMGAM2POLB
SCHEMBL22518629 0.83 MGAM (0.53) MGAMGAASIMGAM2MAPT
SCHEMBL11900136 0.83 POLB (0.50) MGAMGAASIMGAM2POLB
SCHEMBL14593841 0.83 MAPT (0.50) MGAMGAASIMGAM2POLB
SCHEMBL224389 0.83 HSP90AA1 (0.62) MGAMGAASIMGAM2MAPT
SCHEMBL25209653 0.81 MGAM (0.51) MGAMGAASIMGAM2POLB
SCHEMBL29629509 0.80 MGAM (0.50) MGAMGAASIMGAM2MAPT
SCHEMBL11900129 0.78 HTT (0.45) MGAMGAASIMGAM2POLB
SCHEMBL18604453 0.76 MAPT (0.50) MGAMGAASIMGAM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 — — US disclosed
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 — — US disclosed
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 — — EP disclosed
CN-111433208-B Pyrrolo (pyrazolo) pyrimidine derivatives as LRRK2 inhibitors 奥斯考泰克公司 2023-06-30 — — CN disclosed
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 — — US disclosed
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC. (KR) 2021-11-25 — — US disclosed
US-20210093613-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. 2021-04-01 — — US disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 — — EP disclosed
US-10744118-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2020-08-18 — — US disclosed
CN-111433208-A Pyrrolo (pyrazolo) pyrimidine derivatives as L RRK2 inhibitors 奥斯考泰克公司 2020-07-17 — — CN disclosed
US-20140179733-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 — — US disclosed
US-20140179733-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 — — US disclosed
US-20140179733-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 — — US disclosed
WO-2014100735-A2 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 — — WO disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 — — US disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 — — US disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 — — US disclosed
WO-2014089495-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-12 — — WO disclosed
WO-2014089495-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-12 — — WO disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 — — 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 (8 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-20210093613-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 MGAM 2875/4885GAA 2803/4885SI 3033/4885
US-20140171420-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 MGAM 2875/4885GAA 2803/4885SI 3033/4885
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR LRRK2, PARK7, WEE1 MGAM 4720/4885GAA 1477/4885SI 3561/4885
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors LRRK2, PARK7, PAK3 MGAM 3999/4885GAA 638/4885SI 1527/4885
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 MGAM 2403/4885GAA 1204/4885SI 1060/4885
US-10744118-B2 Diazole lactams CCR1, CCRL2, CCR4 MGAM 2875/4885GAA 2803/4885SI 3033/4885
US-11759454-B2 Diazole lactams CCR1, CCRL2, CCR4 MGAM 2875/4885GAA 2803/4885SI 3033/4885
US-20140179733-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 MGAM 3774/4885GAA 3144/4885SI 3116/4885

“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.