SCHEMBL9939693

SCHEMBL9939693

Cc1ccnc(Nc2ccc3c(OCCN4CCOCC4)ccc(Cl)c3n2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KMO O15229 2/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 1/20 0.39
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 2/20 0.38
SRC P12931 2/20 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
SCHEMBL25853966 0.89 NPC1 (0.42) NPC1TSHREPHA2KDREPHB4
SCHEMBL20124512 0.86 NPC1 (0.41) NPC1TSHREPHA2KDREPHB4
SCHEMBL9939521 0.86 SMN1; SMN2 (0.41) NPC1TSHREPHA2KDREPHB4
SCHEMBL22137745 0.83 KDR (0.51) NPC1TSHREPHA2KDREPHB4
SCHEMBL9938896 0.79 SMN1; SMN2 (0.47) TSHREPHA2KDREPHB4HTR2C
SCHEMBL9939180 0.78 TSHR (0.56) NPC1TSHREPHA2KDREPHB4
SCHEMBL9972390 0.78 KDR (0.56) TSHREPHA2KDREPHB4HTR2C
SCHEMBL9943575 0.78 MAPK14 (0.44) NPC1TSHREPHA2KDREPHB4
SCHEMBL17434796 0.75 ABL1 (0.52) TSHRKDM4EALDH1A1
SCHEMBL9965322 0.75 NR4A2 (0.38)

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 25 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
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
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-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-2020127853-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER ABIVAX (FR) 2020-06-25 WO disclosed
EP-3669873-A1 QUINOLINE DERIVATIVES FOR USE INE THE TRAEATMENT OF INFLAMMATION DISEASES ABIVAX (FR) 2020-06-24 EP disclosed
EP-3670659-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER ABIVAX (FR) 2020-06-24 EP 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
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 (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 NPC1 258/4885TSHR 2295/4885EPHA2 3227/4885
US-20220023324-A1 QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION DISEASES NR1H3, NR1H2, NR1H4 NPC1 696/4885TSHR 467/4885EPHA2 2134/4885
US-20220145406-A1 BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER HAVCR2, CXCL8, IL36G NPC1 2143/4885TSHR 4045/4885EPHA2 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.