SCHEMBL4867372

SCHEMBL4867372

Nc1cccc(-c2cn[c]s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.47
MEN1 O00255 3/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAOA P21397 1/20 0.44
METAP2 P50579 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
RECQL P46063 2/20 0.39
TSHR P16473 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MECP2 P51608 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL69540 0.81 KDR (0.40) MEN1NPC1RAB9AALDH1A1KMT2A
SCHEMBL9955273 0.79 HSD17B1 (0.45) MEN1KDM4EMAPTKMT2ACYP3A4
SCHEMBL2897272 0.79 IDO1 (0.41) MEN1METAP2NPC1RAB9ATSHR
SCHEMBL1900288 0.79 BACE1 (0.41) NPC1RAB9ATSHRNFKB1NFKB2
SCHEMBL17028871 0.76 IDO1 (0.46) RAB9AALDH1A1GAADYRK3CCNT1
SCHEMBL745383 0.72 CYP2A6 (0.54) MKNK1MKNK2KDM4EALDH1A1MAPT
SCHEMBL209262 0.71 MAPT (0.42) MKNK1KDM4EALDH1A1MAPTHPGD
SCHEMBL27636444 0.70 MAOA (0.47) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL12491723 0.70 APP (0.58) MAP4K4MEN1MAOANPC1RAB9A
SCHEMBL8876829 0.69 KDM4E (0.50) MEN1NPC1RAB9ATSHRKDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1670808-A1 ANTIMICROBIAL DERIVATIVES CHIRON CORPORATION (US) 2006-06-21 EP disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050101548-A1 Antimicrobial derivatives LIN XIAODONG (US) 2005-05-12 US disclosed
WO-2005028493-A1 ANTIMICROBIAL DERIVATIVES CHIRON CORPORATION (US) 2005-03-31 WO disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD MAP4K4 267/4885MEN1 3279/4885PSIP1 3293/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL MAP4K4 1295/4885MEN1 2935/4885PSIP1 3722/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI MAP4K4 347/4885MEN1 3666/4885PSIP1 4220/4885
US-20050101548-A1 Antimicrobial derivatives CFTR, VIP, Q6ZSR9 MAP4K4 1560/4885MEN1 3074/4885PSIP1 3848/4885

“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.