SCHEMBL5500501

SCHEMBL5500501

[CH2]CCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CSNK1D P48730 1/20 0.35
CLK2 P49760 1/20 0.35
STK3 Q13188 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PDGFRB P09619 1/20 0.35
MAP2K1 Q02750 1/20 0.34
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
ADORA3 P0DMS8 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5673498 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ARAB9APIM1
SCHEMBL15453284 0.84 GSK3B (0.39) RAB9ALOXL2GSK3BMAPK1CYP1A2
SCHEMBL7686070 0.82 MAPK1 (0.43) RAB9APIM1PDGFRBALDH1A1MAPK1
SCHEMBL25610999 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ARAB9APDGFRB
SCHEMBL12068347 0.82 GSK3B (0.49) SMN1; SMN2MEN1KMT2ARAB9APDGFRB
SCHEMBL8723967 0.82 NOTUM (0.39) SMN1; SMN2MEN1KMT2ARAB9APDGFRB
SCHEMBL1917870 0.82 ADORA3 (0.50) SMN1; SMN2MEN1KMT2ARAB9APDGFRB
SCHEMBL14895111 0.82 LOXL2 (0.47) SMN1; SMN2MEN1KMT2ARAB9APDGFRB
SCHEMBL7064321 0.81 IDH1 (0.39) SMN1; SMN2MEN1KMT2ARAB9APDGFRB
SCHEMBL6618330 0.79 GSK3B (0.44) SMN1; SMN2RAB9AADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642901-B1 Novel erythromycin derivatives PFIZER PROD INC (US) 2007-10-31 EP claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP claimed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US claimed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US claimed
US-6262030-B1 Erythromycin derivatives PFIZER INC. 2001-07-17 US claimed
US-6248719-B1 Tricyclic 3-keto derivatives of 6-O-methylerthromycin PFIZER INC 2001-06-19 US claimed
EP-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP claimed
WO-1999062920-A1 TRICYCLIC 3-KETO DERIVATIVES OF 6-O-METHYLERYTHROMYCIN PFIZER PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 EP claimed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 WO claimed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP disclosed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US disclosed
WO-1998051696-A1 ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-11-19 WO disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 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 (1 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-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin CYP7A1, HSD17B7, CYP51A1 SMN1; SMN2 2559/4885MEN1 1734/4885KMT2A 942/4885

“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.