SCHEMBL2188295

SCHEMBL2188295

O=C(c1cccc2[nH]nnc12)c1cccc2[nH]nnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.39
GPR84 Q9NQS5 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
DHODH Q02127 2/20 0.34
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 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
SCHEMBL170674 0.87 KDM4E (0.47) PARP1KDM4EHPGDDHODH
SCHEMBL4813379 0.87 PARP1 (0.38) PARP1KDM4EHPGDDHODHPLK4
SCHEMBL29453826 0.87 KDM4E (0.47) PARP1KDM4EHPGDDHODH
SCHEMBL29031778 0.85 CCND3 (0.44) PARP1KDM4E
Phosphine SCHEMBL4726258 0.85 KDM4E (0.46) PARP1KDM4EHPGDDHODH
SCHEMBL1698316 0.85 PARP1 (0.56) PARP1DHODHPLK4MAPK13DYRK3
Ammonia Solution, Strong SCHEMBL6052082 0.85 KDM4E (0.46) PARP1KDM4EHPGDDHODH
SCHEMBL1761105 0.85 ALDH1A1 (0.37) PARP1KDM4EHPGDDHODHPLK4
SCHEMBL9172345 0.85 KDM4E (0.46) PARP1KDM4EHPGDDHODH
SCHEMBL3840407 0.85 KDM4E (0.46) PARP1KDM4EHPGDDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117386893-A Multilayer composite antibacterial PE water supply pipeline and preparation process thereof 江苏惠升管业集团有限公司 2024-01-12 CN claimed
US-10508081-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2019-12-17 US claimed
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2018-05-17 US claimed
EP-1777236-B1 Modified saccharides having improved stability in water for use as a medicament NOVARTIS AG (CH) 2016-11-30 EP claimed
EP-3066074-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES Pfizer Inc. (US) 2016-09-14 EP claimed
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2016-09-01 US claimed
WO-2015063680-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2015-05-07 WO claimed
US-8895516-B2 Modified saccharides, conjugates thereof, and their manufacture NOVARTIS AG (CH) 2014-11-25 US claimed
EP-1490409-B1 MODIFIED SACCHARIDES HAVING IMPROVED STABILITY IN WATER NOVARTIS VACCINES & DIAGNOSTIC (IT) 2008-12-31 EP claimed
EP-1777236-A1 Modified saccharides having improved stability in water Novartis Vaccines and Diagnostics S.r.l. (IT) 2007-04-25 EP claimed
US-20060263390-A1 Modified saccharides, conjugates thereof, and their manufacture GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2006-11-23 US claimed
EP-1534342-B1 MODIFIED SACCHARIDES, CONJUGATES THEREOF, AND THEIR MANUFACTURE CHIRON SRL (IT) 2006-03-08 EP claimed
EP-1534342-A1 MODIFIED SACCHARIDES, CONJUGATES THEREOF, AND THEIR MANUFACTURE Chiron SRL. (IT) 2005-06-01 EP claimed
EP-1490409-A1 MODIFIED SACCHARIDES HAVING IMPROVED STABILITY IN WATER Chiron SRL. (IT) 2004-12-29 EP claimed
WO-2004019992-A1 MODIFIED SACCHARIDES, CONJUGATES THEREOF, AND THEIR MANUFACTURE CHIRON SRL (IT) 2004-03-11 WO claimed
WO-2003080678-A1 MODIFIED SACCHARIDES HAVING IMPROVED STABILITY IN WATER CHIRON SRL (IT) 2003-10-02 WO claimed
US-6403776-B1 TREATING ANTIBIOTIC COMPOUND WITH NUCLEOPHILE TO CLEAVE PROTECTING GROUP FROM HYDROXYL GROUP PFIZER INC. 2002-06-11 US claimed
EP-1088828-A2 Synthesis of carbamate ketolide antibiotics Pfizer Products Inc. (US) 2001-04-04 EP claimed
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c ACADIA PHARMACEUTICALS INC. (US) 2023-12-12 US disclosed
US-4224439-A Activated matrix and method of activation DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1980-09-23 US 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 (5 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-10508081-B2 Intermediates and methods for synthesizing calicheamicin derivatives CALR, CALD1, CYCS PARP1 2673/4885GPR84 4580/4885KDM4E 4425/4885
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c NR3C2, NR2C2, CYP4A22 PARP1 4009/4885GPR84 1522/4885KDM4E 2641/4885
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS PARP1 2673/4885GPR84 4580/4885KDM4E 4425/4885
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS PARP1 2673/4885GPR84 4580/4885KDM4E 4425/4885
US-20060263390-A1 Modified saccharides, conjugates thereof, and their manufacture C9, B3GNT2, OGA PARP1 2281/4885GPR84 2243/4885KDM4E 2640/4885

“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.