Sugi Predict

Sugi Predict / Compounds / SCHEMBL3520105

SCHEMBL3520105

SCHEMBL3520105

Fc1ccc(-c2cn3ccnc(Cl)c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ NFKB1 P19838 3/20 0.55
▸ NFKB2 Q00653 3/20 0.55
▸ RELA Q04206 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A3 P47895 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ PKM P14618 1/20 0.48
▸ MAPT P10636 1/20 0.46

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
SCHEMBL13764320 0.89 RAB9A (0.59) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL19664874 0.88 RAB9A (0.51) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL18190039 0.84 NPC1 (0.57) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL18189922 0.84 ALDH1A3 (0.58) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL3523126 0.82 NPC1 (0.62) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL6648749 0.81 ALDH1A3 (0.46) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL3523202 0.80 KMO (0.40) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL14164602 0.78 ALDH1A3 (0.46) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL3529079 0.78 NPC1 (0.51) RAB9ANPC1ALDH1A1KDM4ENFKB1
SCHEMBL3526242 0.78 NPC1 (0.51) RAB9ANPC1ALDH1A1KDM4ENFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
US-10513523-B2 Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-12-24 — — US disclosed
EP-3288945-B1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 — — EP disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 — — US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 — — US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 — — US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 — — US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 — — US disclosed
US-20180118751-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 — — US disclosed
EP-3288945-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2018-03-07 — — EP disclosed
WO-2016119706-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE 南京明德新药研发股份有限公司 2016-08-04 — — WO disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 — — US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 — — US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 — — US disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 — — EP disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 — — US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 — — US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 — — US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 — — WO disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 — — WO 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 (5 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 RAB9A 3128/4885NPC1 2584/4885ALDH1A1 1071/4885
US-20180118751-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIK5, GRIN1, GRIN3A RAB9A 4321/4885NPC1 2905/4885ALDH1A1 913/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 RAB9A 2868/4885NPC1 1571/4885ALDH1A1 1785/4885
US-10513523-B2 Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators GRIK5, GRIN1, GRIN3A RAB9A 4321/4885NPC1 2905/4885ALDH1A1 913/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 RAB9A 2868/4885NPC1 1571/4885ALDH1A1 1785/4885

“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.