Sugi Predict

Sugi Predict / Compounds / SCHEMBL9938896

SCHEMBL9938896

SCHEMBL9938896

Cc1cc2c(OCCN3CCCCC3)ccc(Cl)c2nc1Nc1nccc(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ EPHA2 P29317 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ EPHB4 P54760 2/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38

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
SCHEMBL25942090 0.87 SIGMAR1 (0.39) SMN1; SMN2KDM4EEPHA2KDREPHB4
SCHEMBL20124518 0.87 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EEPHA2KDREPHB4
SCHEMBL9943213 0.81 KDM4E (0.42) SMN1; SMN2KDM4EEPHA2KDREPHB4
SCHEMBL9939330 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EESR1ESR2MEN1
SCHEMBL9939693 0.79 NPC1 (0.42) KDM4EEPHA2KDREPHB4SRC
SCHEMBL9939448 0.78 AXL (0.45) SMN1; SMN2EPHA2KDREPHB4SRC
SCHEMBL9938767 0.76 NR4A2 (0.36) NOS3NOS2
SCHEMBL22137745 0.74 KDR (0.51) KDM4EEPHA2KDREPHB4SRC
SCHEMBL22135113 0.73 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EESR1ESR2MEN1
SCHEMBL9939128 0.71 TSHR (0.53) SMN1; SMN2KDM4EHTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 — — EP claimed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 — — US claimed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 — — EP claimed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 — — US claimed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 — — WO claimed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 — — EP claimed
WO-2023139233-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A JAK INHIBITOR ABIVAX (FR) 2023-07-27 — — WO disclosed
EP-4215196-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A JAK INHIBITOR ABIVAX (FR) 2023-07-26 — — EP disclosed
WO-2023135207-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A S1P RECEPTOR MODULATOR ABIVAX (FR) 2023-07-20 — — WO disclosed
US-20220145406-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER ABIVAX (FR) 2022-05-12 — — US disclosed
US-20220023324-A1 QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION DISEASES ABIVAX (FR) 2022-01-27 — — US disclosed
WO-2020127843-A1 QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION DISEASES ABIVAX (FR) 2020-06-25 — — WO disclosed
WO-2020127853-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER ABIVAX (FR) 2020-06-25 — — WO disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 — — US disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 — — US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 — — US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 — — US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 — — US disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 — — EP disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 — — 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 (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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 SMN1; SMN2 3057/4885KDM4E 3456/4885EPHA2 3227/4885
US-20220023324-A1 QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION DISEASES NR1H3, NR1H2, NR1H4 SMN1; SMN2 3559/4885KDM4E 3886/4885EPHA2 2134/4885
US-20220145406-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER HAVCR2, CXCL8, IL36G SMN1; SMN2 3438/4885KDM4E 4712/4885EPHA2 1096/4885

“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.