Sugi Predict

Sugi Predict / Compounds / SCHEMBL372028

SCHEMBL372028

SCHEMBL372028

OC/C=C/c1cnc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.67
▸ PDGFRA P16234 3/20 0.67
▸ RAB9A P51151 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ RHOA P61586 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MGAM O43451 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ CYP3A4 P08684 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL372029 1.00 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL372262 1.00 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL371966 0.83 RAB9A (0.55) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL371964 0.83 RAB9A (0.55) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL6850815 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL3906668 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL4872097 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL3906662 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL7117727 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2
SCHEMBL10162435 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 — — US claimed
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 — — EP claimed
US-11535643-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-27 — — US disclosed
EP-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 — — EP disclosed
EP-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 — — EP disclosed
EP-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 — — EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 — — EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 — — EP disclosed
WO-2014165792-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-09 — — WO disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 — — EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 — — EP disclosed
US-6455680-B1 PROTECTING A KETONE OF A KETONE-CONTAINING ERYTHROMYCIN DERIVATIVE AS AN ARYL THIOIMINE (AR-S-N=) BY REACTING THE KETONE WITH A HYDROXYLAMINE TO FORM AN OXIME, AND THEN REACTING WITH A TRIALKYL PHOSPHINE AND AN ARYL DISULFIDE ABBOTT LABORATORIES 2002-09-24 — — US disclosed
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives ABBVIE INC. 2002-08-22 — — US disclosed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 — — US disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 — — US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 — — US disclosed
WO-2002050093-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2002-06-27 — — WO disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 — — US disclosed
WO-2000078773-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSTITUTED ERYTHROMYCIN DERIV ATIVES ABBOTT LABORATORIES (US) 2000-12-28 — — WO disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 — — 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-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives CYP2C9, CYP2B6, POR PDGFRB 2941/4885PDGFRA 3320/4885RAB9A 513/4885
US-11535643-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, MGAM, B3GNT2 PDGFRB 4184/4885PDGFRA 4462/4885RAB9A 953/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 PDGFRB 4477/4885PDGFRA 4057/4885RAB9A 1709/4885

“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.