Sugi Predict

Sugi Predict / Compounds / SCHEMBL9937979

SCHEMBL9937979

SCHEMBL9937979

FC(F)(F)c1ccnc(Nc2ccc3c(OCCN4CCCCC4)ccc(Cl)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ HTR2A P28223 4/20 0.39
▸ HTR2C P28335 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LTA4H P09960 2/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAP3K12 Q12852 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SYK P43405 1/20 0.37

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
SCHEMBL17434804 0.96 NTRK1 (0.47) NTRK1BACE1KDM4ESMN1; SMN2MAP3K12
SCHEMBL29498289 0.96 NTRK1 (0.47) NTRK1BACE1KDM4ESMN1; SMN2MAP3K12
SCHEMBL9943575 0.91 MAPK14 (0.44) NTRK1HTR2AHTR2CTSHRKDM4E
SCHEMBL17453658 0.89 KDM4E (0.45) BACE1HTR2AHTR2CKDM4ESMN1; SMN2
SCHEMBL22137743 0.87 NTRK1 (0.51) NTRK1HTR2AHTR2CTSHRKDM4E
SCHEMBL9943213 0.86 KDM4E (0.42) NTRK1BACE1HTR2AHTR2CTSHR
SCHEMBL19130834 0.83 HRH3 (0.50) —
SCHEMBL29498281 0.83 BACE1 (0.46) BACE1KDM4ELTA4HKDRMAP3K12
SCHEMBL17434791 0.83 BACE1 (0.46) BACE1KDM4ELTA4HKDRMAP3K12
SCHEMBL9943627 0.80 NTRK1 (0.47) NTRK1BACE1HTR2AHTR2CTSHR

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 44 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
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 — — US claimed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 — — EP claimed
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
EP-4212156-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A S1P RECEPTOR MODULATOR ABIVAX (FR) 2023-07-19 — — EP disclosed
US-11649210-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 — — US disclosed
US-11649210-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 — — US disclosed
US-11649211-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 — — US disclosed
US-11649211-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 — — US disclosed
US-20220145406-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER ABIVAX (FR) 2022-05-12 — — US disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 — — US disclosed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 — — EP 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
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 — — WO 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 (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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 NTRK1 2698/4885BACE1 2109/4885HTR2A 2631/4885
US-11649210-B2 Use of quinoline derivatives for the treatment of inflammatory diseases NR1H4, NR1I3, NR1H3 NTRK1 4128/4885BACE1 3566/4885HTR2A 629/4885
US-11649211-B2 Use of quinoline derivatives for the treatment of inflammatory diseases NR1H4, NR1I3, NR1H3 NTRK1 4128/4885BACE1 3566/4885HTR2A 629/4885
US-20220145406-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER HAVCR2, CXCL8, IL36G NTRK1 3845/4885BACE1 1141/4885HTR2A 4637/4885

“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.